################################################### # # # Converted from PDB format to CIF format by # # pdb2cif version 2.3.7 07 Mar 1999 # # by # # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # # # # http://www.bernstein-plus-sons.com/software # # /pdb2cif # # *** See the remarks at the end of this *** # # *** file for information on conversion *** # # *** of this entry and on the program *** # # *** pdb2cif *** # # Please report problems to: # # pdb2cif@bernstein-plus-sons.com # ################################################### data_1HYH _entry.id 1HYH ################## # # # STRUCT # # # ################## loop_ _struct.entry_id _struct.title 1HYH ; Compound:: Mol_id: 1; Molecule: L-2-hydroxyisocaproate Dehydrogenase; Chain: A, B, C, D; Synonym: L-hicdh; Ec: 1.1.1.27; Engineered: Yes; Heterogen: Nad+; Heterogen: Sulfate Source:: Mol_id: 1; Organism_scientific: Lactobacillus Confusus; Expression_system: Escherichia Coli; Expression_system_strain: Jm103; Expression_system_plasmid: Phl6; Other_details: German Collection Of Microorganisms (Dsm) Number Dsm 20196, Cell Plasm ; _exptl.entry_id 1HYH _exptl.method 'single-crystal x-ray diffraction' #################### # # # AUDIT_AUTHOR # # # #################### loop_ _audit_author.name 'Niefind, K.' 'Hecht, H.-J.' 'Schomburg, D.' 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 ; Crystal Structure Of L-2-hydroxyisocaproate Dehydrogenase From Lactobacillus Confusus At 2.2 Angstroms Resolution - An Example Of Strong Asymmetry Between Subunits ; UK 'J.MOL.BIOL. ' 251 ? 256 1995 'JMOBAK ' '0022-2836 ' 0070 ? ? ? ? 1 no ; Deletion Variants Of L-hydroxyisocaproate Dehydrogenase - Probing Substrate Specificity ; IX 'EUR.J.BIOCHEM. ' 223 ? 857 1994 'EJBCAI ' '0014-2956 ' 0262 ? ? ? ? 2 no ; Roentgenkristallographische Untersuchungen An Drei Mikrobiellen Enzymen: D-2-hydroxyisocaproat-dehydrogenase Aus Lactobacillus Casei, L-2-hydroxyisocaproat-dehydrogenase Aus Lactobacillus Confusus, Alkalische Protease Aus Bacillus Alcalophilus(Slash)variante Q59r (German, With English Summary) ; GW ? ? ? ? 1993 ? ? 2069 ; THESIS, TECHNISCHE UNIVERSITAT CAROLO-WILHELMINA ZU BRAUNSCHWEIG ; ; ? ; ' ' ? 3 no ; Cloning, Sequencing And Expression Of The L-2-hydroxyisocaproate Dehydrogenase-encoding Gene Of Lactobacillus Confusus In Escherichia Coli ; NE 'GENE ' 83 ? 263 1989 'GENED6 ' '0378-1119 ' 0861 ? ? ? ? 4 no ; L-2-hydroxyisocaproate Dehydrogenase - A New Enzyme From Lactobacillus Confusus For The Stereospecific Reduction Of 2-ketocarboxylic Acids ; GW 'APPL.MICROBIOL.BIOTECHNOL. ' 19 ? 167 1984 'AMBIDG ' '0175-7598 ' 0786 ? ? ? ? loop_ _citation_author.citation_id _citation_author.name primary 'Niefind, K.' primary 'Hecht, H.-J.' primary 'Schomburg, D.' 1 'Feil, I.K.' 1 'Lerch, H.-P.' 1 'Schomburg, D.' 2 'Niefind, K.' 3 'Lerch, H.-P.' 3 'Frank, R.' 3 'Collins, J.' 4 'Schuette, H.' 4 'Hummel, W.' 4 'Kula, M.-R.' _reflns.entry_id 1HYH _reflns.d_resolution_high 2.2 loop_ _database_PDB_remark.id _database_PDB_remark.text 3 ; REFINEMENT. PROGRAM PROLSQ 5.10 IN THE CCP4-SUITE AUTHORS KONNERT,HENDRICKSON R VALUE 0.210 FREE R VALUE 0.250 FREE R VALUE TEST SET 10.00 % MEAN B VALUE 27.6 ANGSTROMS**2 ESD FROM LUZZATI PLOT 0.27 ANGSTROMS FINAL RMS COORD. SHIFT 0.011 ANGSTROMS NUMBER OF REFLECTIONS 102618 RESOLUTION RANGE 8. - 2.2 ANGSTROMS DATA CUTOFF 2. SIGMA(F) COMPLETENESS FOR RANGE 93.2 % DATA COLLECTION. NUMBER OF UNIQUE REFLECTIONS 105688 RESOLUTION RANGE 15.1 - 2.22 ANGSTROMS COMPLETENESS OF DATA 94.9 % REJECTION CRITERIA 3. SIGMA(I) NUMBER OF ATOMS USED IN REFINEMENT. NUMBER OF PROTEIN ATOMS 8812 NUMBER OF NUCLEIC ACID ATOMS 0 NUMBER OF HETEROGEN ATOMS 196 NUMBER OF SOLVENT ATOMS 309 RMS DEVIATIONS FROM IDEAL VALUES (THE VALUES OF SIGMA, IN PARENTHESES, ARE THE INPUT ESTIMATED STANDARD DEVIATIONS THAT DETERMINE THE RELATIVE WEIGHTS OF THE CORRESPONDING RESTRAINTS). DISTANCE RESTRAINTS (ANGSTROMS). BOND DISTANCE 0.015(0.015) ANGLE DISTANCE 0.030(0.020) PLANAR 1-4 DISTANCE 0.034(0.030) PLANE RESTRAINT (ANGSTROMS) 0.011(0.015) CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.065(0.050) NON-BONDED CONTACT RESTRAINTS (ANGSTROMS). SINGLE TORSION CONTACT 0.180(0.200) MULTIPLE TORSION CONTACT 0.194(0.200) CONFORMATIONAL TORSION ANGLE RESTRAINT (DEGREES). PLANAR 2.0 STAGGERED 15.0 ORTHONORMAL 33.8 ISOTROPIC THERMAL FACTOR RESTRAINTS (ANGSTROMS**2). MAIN-CHAIN BOND 1.260(1.000) MAIN-CHAIN ANGLE 1.964(1.500) SIDE-CHAIN BOND 1.383(1.000) SIDE-CHAIN ANGLE 1.953(1.500) REMARK: THE DEPOSITORS USED THE FILE "PROTIN_VL.DIC" FROM THE CCP4-DICTIONARY (VERSION 5.10) TO NUMBER 4 (1994). ACTA CRYST. D50, 760-763] ; 4 ; L-HICDH IS A TETRAMER WITH THREE ORTHOGONAL TWO-FOLD AXES. THE AXIAL SYSTEM OF THIS COORDINATE ENTRY HAS X,Y,Z COINCIDENT WITH THE P,Q,R SET CUSTOMARILY USED FOR MEMBERS OF THE L-LACTATE DEHYDROGENASE FAMILY AND DEFINED BY M.G.ROSSMANN ET AL. IN J.MOL.BIOL,V.76 533 1973. ; 5 ; NO NON-CRYSTALLOGRAPHIC SYMMETRY RESTRAINTS WERE APPLIED IN THE FINAL REFINEMENT. ; 6 ; FOUR L-HICDH SUBUNITS ARE INCLUDED. EACH SUBUNIT HAS NAD+ AND A SULFATE ION IN THE ACTIVE SITE. ; 7 ; RESIDUES ARE NUMBERED SEQUENTIALLY STARTING WITH ALA 21 AND ENDING WITH LEU 329. THE REASON FOR BEGINNING WITH 21 IS THAT L-HICDH MISSES AN N-TERMINAL ARM OF ABOUT 20 RESIDUES, WHICH IS PRESENT IN HOMOLOGOUS EUKARYOTIC L-LACTATE DEHYDROGENASES. ; 8 ; THE *SCALE* TRANSFORMATION BELOW GENERATES FRACTIONAL. COORDINATES WITH RESPECT TO SPACE GROUP P 32 2 1. ; 9 ; NON-CRYSTALLOGRAPHIC SYMMETRY IS WELL PRESERVED AROUND THE MOLECULAR P-AXIS, WHILE IT IS STRONGLY DISTURBED AROUND Q AND R. STRUCTURAL DIFFERENCES BETWEEN THE CHAINS *A* AND *B* ON THE ONE SIDE AND *C* AND *D* ON THE OTHER ARE ESPECIALLY PRONOUNCED IN THE REGION OF THE ACTIVE SITE. ; 10 ; MTRIX THE TRANSFORMATIONS PRESENTED ON MTRIX RECORDS BELOW DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG THE VARIOUS DOMAINS IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND. APPLIED TO TRANSFORMED TO MTRIX RESIDUES RESIDUES RMSD M1 A 21 .. A 331 B 21 .. B 331 0.244 M2 A 21 .. A 331 C 21 .. C 331 5.043 M3 A 21 .. A 331 D 21 .. D 331 5.041 THE FIRST MTRIX-OPERATION DESCRIBES THE TWO-FOLD ROTATION AROUND THE MOLECULAR P-AXIS AND MAPS CHAIN *A* ON CHAIN *B* (INCLUDING THE BOUND NAD+ AND SULFATE, RESPECTIVELY). THE SECOND MTRIX-OPERATION DESCRIBES THE TWO-FOLD ROTATION AROUND THE MOLECULAR Q-AXIS AND MAPS CHAIN *A* ON CHAIN *C* (INCLUDING THE BOUND NAD+ AND SULFATE, RESPECTIVELY). THE THIRD MTRIX-OPERATION DESCRIBES THE TWO-FOLD ROTATION AROUND THE MOLECULAR R-AXIS AND MAPS CHAIN *A* ON CHAIN *D* (INCLUDING THE BOUND NAD+ AND SULFATE, RESPECTIVELY). ; 11 ; ATOMS OG SER A 255 AND OG SER B 255 ARE PRESENTED WITH ALTERNATE SIDE CHAIN CONFORMATIONS. ; 12 ; SOURCE: DSM NUMBER: DSM 20196 (DSM = DEUTSCHE SAMMLUNG VON MIKROORGANISMEN/GERMAN COLLECTION OF MICROORGANISMS) ; 13 ; THE FOLLOWING PARTS OF THE MOLECULE ARE NOT INCLUDED IN THIS ENTRY, BECAUSE THEY ARE NOT DEFINED BY ELECTRON DENSITY: SUBUNIT A: COMPLETELY MISSING: ASP 105 - ARG 111, ALA 220 - ASP 224 PARTLY MISSING: LYS 101, ILE 225, ASP 226, ARG 235, GLU 309, GLN 313, ASP 327 SUBUNIT B: COMPLETELY MISSING: ASP 105 - ARG 111, ALA 220 - ASP 224, ASP 327 - LEU 329 PARTLY MISSING: LYS 101, LYS 116, ILE 225, ASP 226, ARG 235, GLU 309, GLN 320, ARG 321, VAL 326 SUBUNIT C: COMPLETELY MISSING: ASN 99 - THR 108, GLY 223 - ASP 224 PARTLY MISSING: ASP 110, GLU 114, GLU 232, ARG 235, LYS 236, ARG 321 SUBUNIT D: COMPLETELY MISSING: ASN 99 - THR 108, GLY 223 - ASP 224 PARTLY MISSING: ASN 200, GLU 232, ARG 235, LYS 236, GLU 309, GLN 320, ARG 321 ; 14 ; THE RESIDUES BEHIND THE STRUCTURAL GAPS SPECIFIED IN REMARK 13 CONTAIN SOME BOND ANGLES WITH LARGE DISTORTIONS FROM STANDARD GEOMETRY AND SHOULD BE LEFT OUT IN STRUCTURAL STUDIES. THESE RESIDUES ARE: SUBUNIT A: PHE 112, ILE 225 SUBUNIT B: PHE 112, ILE 225 SUBUNIT C: GLY 109, ILE 225 SUBUNIT D: GLY 109, ILE 225 ; 15 ; STRUCTURE FACTORS CORRESPONDING TO THIS ENTRY HAVE BEEN DEPOSITED WITH THE PROTEIN DATA BANK. ; 18 ; EXPERIMENTAL DETAILS. DATE OF DATA COLLECTION : 30-NOV-93 SOURCE : DESY BEAMLINE : BW6 MONOCHROMATIC (Y/N) : Y LAUE (Y/N) : N WAVELENGTH OR RANGE (A) : 1.0 DETECTOR TYPE : IMAGE PLATE (300MM) DETECTOR MANUFACTURER : MARRESEARCH INTENSITY-INTEGRATION SOFTWARE : MOSFLM DATA REDUNDANCY : 3.5 MERGING R VALUE (INTENSITY) : 0.076 ; 19 ; SOLVENT CONTENT (VS) : 70.4 % MATTHEWS COEFFICIENT (VM) : 4.15 ANGSTROMS**3/DA ; 999 ; CROSS REFERENCE TO SEQUENCE DATABASE SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME DHL2_LACCO A CROSS REFERENCE TO SEQUENCE DATABASE SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME DHL2_LACCO B CROSS REFERENCE TO SEQUENCE DATABASE SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME DHL2_LACCO C CROSS REFERENCE TO SEQUENCE DATABASE SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME DHL2_LACCO D SEQUENCE REFERENCE DATABASE: SWISS-PROT, RELEASE 31.0 (3/95) ENTRY_NAME: DHL2_LACCO; P14295 REFERENCE: H.-P. LERCH, R. FRANK, J. COLLINS (1989). CLONING, SEQUENCING, EXPRESSION OF THE L-2-HYDROXYISOCAPROATE DEHYDROGENASE-ENCODING GENE OF LACTOBACILLUS CONFUSUS IN ESCHERICHIA COLI. GENE, 83, 263-270. ; _cell.entry_id 1HYH _cell.length_a 135.900 _cell.length_b 135.900 _cell.length_c 205.900 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.volume 4251562.8 _cell.details ? _cell.Z_PDB 24 _symmetry.entry_id 1HYH _symmetry.space_group_name_H-M 'P 32 2 1 ' #################### # # # AUDIT # # # #################### _audit.revision_id 1HYH _audit.creation_date 1995-06-05 _audit.update_record ; 1999-03-07 Converted to mmCIF format by pdb2cif.pl 2.3.7 ; ############################# # # # STRUCT_KEYWORDS # # # ############################# loop_ _struct_keywords.entry_id _struct_keywords.text 1HYH 'L-2-HYDROXYCARBOXYLATE DEHYDROGENASE' 1HYH 'L-LACTATE DEHYDROGENASE' ########################## # # # ENTITY_POLY_SEQ # # # ########################## loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 ALA 1 2 ARG 1 3 LYS 1 4 ILE 1 5 GLY 1 6 ILE 1 7 ILE 1 8 GLY 1 9 LEU 1 10 GLY 1 11 ASN 1 12 VAL 1 13 GLY 1 14 ALA 1 15 ALA 1 16 VAL 1 17 ALA 1 18 HIS 1 19 GLY 1 20 LEU 1 21 ILE 1 22 ALA 1 23 GLN 1 24 GLY 1 25 VAL 1 26 ALA 1 27 ASP 1 28 ASP 1 29 TYR 1 30 VAL 1 31 PHE 1 32 ILE 1 33 ASP 1 34 ALA 1 35 ASN 1 36 GLU 1 37 ALA 1 38 LYS 1 39 VAL 1 40 LYS 1 41 ALA 1 42 ASP 1 43 GLN 1 44 ILE 1 45 ASP 1 46 PHE 1 47 GLN 1 48 ASP 1 49 ALA 1 50 MET 1 51 ALA 1 52 ASN 1 53 LEU 1 54 GLU 1 55 ALA 1 56 HIS 1 57 GLY 1 58 ASN 1 59 ILE 1 60 VAL 1 61 ILE 1 62 ASN 1 63 ASP 1 64 TRP 1 65 ALA 1 66 ALA 1 67 LEU 1 68 ALA 1 69 ASP 1 70 ALA 1 71 ASP 1 72 VAL 1 73 VAL 1 74 ILE 1 75 SER 1 76 THR 1 77 LEU 1 78 GLY 1 79 ASN 1 80 ILE 1 81 LYS 1 82 LEU 1 83 GLN 1 84 GLN 1 85 ASP 1 86 ASN 1 87 PRO 1 88 THR 1 89 GLY 1 90 ASP 1 91 ARG 1 92 PHE 1 93 ALA 1 94 GLU 1 95 LEU 1 96 LYS 1 97 PHE 1 98 THR 1 99 SER 1 100 SER 1 101 MET 1 102 VAL 1 103 GLN 1 104 SER 1 105 VAL 1 106 GLY 1 107 THR 1 108 ASN 1 109 LEU 1 110 LYS 1 111 GLU 1 112 SER 1 113 GLY 1 114 PHE 1 115 HIS 1 116 GLY 1 117 VAL 1 118 LEU 1 119 VAL 1 120 VAL 1 121 ILE 1 122 SER 1 123 ASN 1 124 PRO 1 125 VAL 1 126 ASP 1 127 VAL 1 128 ILE 1 129 THR 1 130 ALA 1 131 LEU 1 132 PHE 1 133 GLN 1 134 HIS 1 135 VAL 1 136 THR 1 137 GLY 1 138 PHE 1 139 PRO 1 140 ALA 1 141 HIS 1 142 LYS 1 143 VAL 1 144 ILE 1 145 GLY 1 146 THR 1 147 GLY 1 148 THR 1 149 LEU 1 150 LEU 1 151 ASP 1 152 THR 1 153 ALA 1 154 ARG 1 155 MET 1 156 GLN 1 157 ARG 1 158 ALA 1 159 VAL 1 160 GLY 1 161 GLU 1 162 ALA 1 163 PHE 1 164 ASP 1 165 LEU 1 166 ASP 1 167 PRO 1 168 ARG 1 169 SER 1 170 VAL 1 171 SER 1 172 GLY 1 173 TYR 1 174 ASN 1 175 LEU 1 176 GLY 1 177 GLU 1 178 HIS 1 179 GLY 1 180 ASN 1 181 SER 1 182 GLN 1 183 PHE 1 184 VAL 1 185 ALA 1 186 TRP 1 187 SER 1 188 THR 1 189 VAL 1 190 ARG 1 191 VAL 1 192 MET 1 193 GLY 1 194 GLN 1 195 PRO 1 196 ILE 1 197 VAL 1 198 THR 1 199 LEU 1 200 ALA 1 201 ASP 1 202 ALA 1 203 GLY 1 204 ASP 1 205 ILE 1 206 ASP 1 207 LEU 1 208 ALA 1 209 ALA 1 210 ILE 1 211 GLU 1 212 GLU 1 213 GLU 1 214 ALA 1 215 ARG 1 216 LYS 1 217 GLY 1 218 GLY 1 219 PHE 1 220 THR 1 221 VAL 1 222 LEU 1 223 ASN 1 224 GLY 1 225 LYS 1 226 GLY 1 227 TYR 1 228 THR 1 229 SER 1 230 TYR 1 231 GLY 1 232 VAL 1 233 ALA 1 234 THR 1 235 SER 1 236 ALA 1 237 ILE 1 238 ARG 1 239 ILE 1 240 ALA 1 241 LYS 1 242 ALA 1 243 VAL 1 244 MET 1 245 ALA 1 246 ASP 1 247 ALA 1 248 HIS 1 249 ALA 1 250 GLU 1 251 LEU 1 252 VAL 1 253 VAL 1 254 SER 1 255 ASN 1 256 ARG 1 257 ARG 1 258 ASP 1 259 ASP 1 260 MET 1 261 GLY 1 262 MET 1 263 TYR 1 264 LEU 1 265 SER 1 266 TYR 1 267 PRO 1 268 ALA 1 269 ILE 1 270 ILE 1 271 GLY 1 272 ARG 1 273 ASP 1 274 GLY 1 275 VAL 1 276 LEU 1 277 ALA 1 278 GLU 1 279 THR 1 280 THR 1 281 LEU 1 282 ASP 1 283 LEU 1 284 THR 1 285 THR 1 286 ASP 1 287 GLU 1 288 GLN 1 289 GLU 1 290 LYS 1 291 LEU 1 292 LEU 1 293 GLN 1 294 SER 1 295 ARG 1 296 ASP 1 297 TYR 1 298 ILE 1 299 GLN 1 300 GLN 1 301 ARG 1 302 PHE 1 303 ASP 1 304 GLU 1 305 ILE 1 306 VAL 1 307 ASP 1 308 THR 1 309 LEU loop_ _entity.id _entity.type _entity.details 1 polymer ; Protein chain: A, B, C, D ; 5 non-polymer 'het group NAD' 6 non-polymer 'het group SO4' 7 water 'HOH' loop_ _struct_asym.entity_id _struct_asym.id 1 A 1 B 1 C 1 D 5 NAD 6 SO4 7 HOH #################### # # # CHEM_COMP # # # #################### loop_ _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.formula _chem_comp.name NAD no ; 4(C21 H27 N7 O14 P2) ; ; NICOTINAMIDE-ADENINE-DINUCLEOTIDE ; SO4 no ; 4(O4 S1 2-) ; ; SULFATE ION ; HOH no ; 309(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" 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] 1HYH -0.841744 -0.495301 0.214789 69.78027 0.488184 -0.528440 0.694573 -0.23980 -0.230524 0.689510 0.686614 0.40915 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] 1HYH 'See _atom_sites.fract_transf_matrix[i][j]' -0.004120 -0.005889 0.004531 0.51242 0.004148 -0.004490 0.005902 -0.00204 -0.001119 0.003348 0.003334 0.00199 ############################## # # # STRUCT_NCS_OPER # # # ############################## # **** WARNING **** Domain information needed loop_ _struct_ncs_oper.id _struct_ncs_oper.code _struct_ncs_oper.matrix[1][1] _struct_ncs_oper.matrix[1][2] _struct_ncs_oper.matrix[1][3] _struct_ncs_oper.vector[1] _struct_ncs_oper.matrix[2][1] _struct_ncs_oper.matrix[2][2] _struct_ncs_oper.matrix[2][3] _struct_ncs_oper.vector[2] _struct_ncs_oper.matrix[3][1] _struct_ncs_oper.matrix[3][2] _struct_ncs_oper.matrix[3][3] _struct_ncs_oper.vector[3] 1 given 0.999990 -0.003090 0.002180 0.00903 -0.003090 -0.999990 -0.001610 0.01442 0.002190 0.001600 -1.000000 -0.05906 2 given -0.999980 0.002870 -0.005370 0.00929 0.002910 0.999970 -0.006560 0.21671 0.005350 -0.006570 -0.999960 -0.06222 3 given -1.000000 -0.000110 -0.002370 0.00131 0.000100 -0.999980 0.006730 -0.22078 -0.002370 0.006730 0.999970 0.03004 #################### # # # ATOM_SITES_ALT # # # #################### loop_ _atom_sites_alt.id _atom_sites_alt.details A ? B ? ###################### # # # ATOM_SITES_FOOTNOTE# # # ###################### loop_ _atom_sites_footnote.id _atom_sites_footnote.text 1 ; CIS PROLINE - PRO A 144 ; 2 ; CIS PROLINE - PRO B 144 ; 3 ; CIS PROLINE - PRO C 144 ; 4 ; CIS PROLINE - PRO D 144 ; #################### # # # ATOM_SITE # # # #################### loop_ _atom_site.label_seq_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 1 ATOM N N ALA A 21 . -2.163 -0.548 18.406 1.00 13.29 . 1 1 1 ATOM C CA ALA A 21 . -2.514 0.202 17.123 1.00 13.29 . 1 2 1 ATOM C C ALA A 21 . -1.459 1.263 16.952 1.00 13.29 . 1 3 1 ATOM O O ALA A 21 . -0.680 1.472 17.901 1.00 13.29 . 1 4 1 ATOM C CB ALA A 21 . -3.905 0.720 17.229 1.00 13.38 . 1 5 2 ATOM N N ARG A 22 . -1.420 1.894 15.751 1.00 11.39 . 1 6 2 ATOM C CA ARG A 22 . -0.383 2.934 15.515 1.00 11.39 . 1 7 2 ATOM C C ARG A 22 . -0.948 4.316 15.725 1.00 11.39 . 1 8 2 ATOM O O ARG A 22 . -2.061 4.613 15.278 1.00 11.39 . 1 9 2 ATOM C CB ARG A 22 . 0.148 2.808 14.106 1.00 13.03 . 1 10 2 ATOM C CG ARG A 22 . 1.097 1.672 13.842 1.00 13.03 . 1 11 2 ATOM C CD ARG A 22 . 1.317 1.488 12.388 1.00 13.03 . 1 12 2 ATOM N NE ARG A 22 . 2.075 0.368 11.952 1.00 13.03 . 1 13 2 ATOM C CZ ARG A 22 . 2.120 -0.037 10.657 1.00 13.03 . 1 14 2 ATOM N NH1 ARG A 22 . 1.462 0.617 9.712 1.00 13.03 . 1 15 2 ATOM N NH2 ARG A 22 . 2.789 -1.121 10.331 1.00 13.03 . 1 16 3 ATOM N N LYS A 23 . -0.238 5.173 16.412 1.00 11.92 . 1 17 3 ATOM C CA LYS A 23 . -0.684 6.530 16.683 1.00 11.92 . 1 18 3 ATOM C C LYS A 23 . 0.462 7.500 16.446 1.00 11.92 . 1 19 3 ATOM O O LYS A 23 . 1.535 7.330 17.042 1.00 11.92 . 1 20 3 ATOM C CB LYS A 23 . -1.183 6.682 18.130 1.00 12.16 . 1 21 3 ATOM C CG LYS A 23 . -1.499 8.154 18.401 1.00 12.16 . 1 22 3 ATOM C CD LYS A 23 . -1.959 8.342 19.814 1.00 12.16 . 1 23 3 ATOM C CE LYS A 23 . -3.413 7.920 19.959 1.00 12.16 . 1 24 3 ATOM N NZ LYS A 23 . -3.888 8.570 21.225 1.00 12.16 . 1 25 4 ATOM N N ILE A 24 . 0.207 8.515 15.612 1.00 11.72 . 1 26 4 ATOM C CA ILE A 24 . 1.216 9.511 15.286 1.00 11.72 . 1 27 4 ATOM C C ILE A 24 . 0.708 10.911 15.583 1.00 11.72 . 1 28 4 ATOM O O ILE A 24 . -0.442 11.241 15.305 1.00 11.72 . 1 29 4 ATOM C CB ILE A 24 . 1.599 9.445 13.789 1.00 14.25 . 1 30 4 ATOM C CG1 ILE A 24 . 2.253 8.099 13.472 1.00 14.25 . 1 31 4 ATOM C CG2 ILE A 24 . 2.616 10.515 13.406 1.00 14.25 . 1 32 4 ATOM C CD1 ILE A 24 . 2.282 7.758 11.988 1.00 14.25 . 1 33 5 ATOM N N GLY A 25 . 1.557 11.707 16.225 1.00 9.64 . 1 34 5 ATOM C CA GLY A 25 . 1.210 13.076 16.538 1.00 9.64 . 1 35 5 ATOM C C GLY A 25 . 2.000 13.997 15.623 1.00 9.64 . 1 36 5 ATOM O O GLY A 25 . 3.163 13.723 15.354 1.00 9.64 . 1 37 6 ATOM N N ILE A 26 . 1.358 15.058 15.079 1.00 11.27 . 1 38 6 ATOM C CA ILE A 26 . 2.065 16.011 14.200 1.00 11.27 . 1 39 6 ATOM C C ILE A 26 . 1.871 17.401 14.770 1.00 11.27 . 1 40 6 ATOM O O ILE A 26 . 0.734 17.827 14.904 1.00 11.27 . 1 41 6 ATOM C CB ILE A 26 . 1.569 15.987 12.749 1.00 11.51 . 1 42 6 ATOM C CG1 ILE A 26 . 1.651 14.593 12.152 1.00 11.51 . 1 43 6 ATOM C CG2 ILE A 26 . 2.427 16.911 11.899 1.00 11.51 . 1 44 6 ATOM C CD1 ILE A 26 . 1.023 14.392 10.815 1.00 11.51 . 1 45 7 ATOM N N ILE A 27 . 2.955 18.068 15.149 1.00 13.25 . 1 46 7 ATOM C CA ILE A 27 . 2.911 19.395 15.732 1.00 13.25 . 1 47 7 ATOM C C ILE A 27 . 3.328 20.404 14.666 1.00 13.25 . 1 48 7 ATOM O O ILE A 27 . 4.491 20.406 14.248 1.00 13.25 . 1 49 7 ATOM C CB ILE A 27 . 3.822 19.508 16.954 1.00 13.30 . 1 50 7 ATOM C CG1 ILE A 27 . 3.458 18.412 17.966 1.00 13.30 . 1 51 7 ATOM C CG2 ILE A 27 . 3.677 20.868 17.637 1.00 13.30 . 1 52 7 ATOM C CD1 ILE A 27 . 4.346 18.353 19.165 1.00 13.30 . 1 53 8 ATOM N N GLY A 28 . 2.374 21.224 14.233 1.00 13.63 . 1 54 8 ATOM C CA GLY A 28 . 2.648 22.252 13.198 1.00 13.63 . 1 55 8 ATOM C C GLY A 28 . 2.122 21.739 11.880 1.00 13.63 . 1 56 8 ATOM O O GLY A 28 . 2.843 21.003 11.261 1.00 13.63 . 1 57 9 ATOM N N LEU A 29 . 0.901 22.046 11.495 1.00 15.23 . 1 58 9 ATOM C CA LEU A 29 . 0.292 21.589 10.282 1.00 15.23 . 1 59 9 ATOM C C LEU A 29 . 0.399 22.659 9.188 1.00 15.23 . 1 60 9 ATOM O O LEU A 29 . -0.621 23.212 8.794 1.00 15.23 . 1 61 9 ATOM C CB LEU A 29 . -1.193 21.216 10.481 1.00 14.94 . 1 62 9 ATOM C CG LEU A 29 . -1.570 19.754 10.776 1.00 14.94 . 1 63 9 ATOM C CD1 LEU A 29 . -1.284 18.790 9.659 1.00 14.94 . 1 64 9 ATOM C CD2 LEU A 29 . -0.799 19.262 12.016 1.00 14.94 . 1 65 10 ATOM N N GLY A 30 . 1.595 22.924 8.725 1.00 15.54 . 1 66 10 ATOM C CA GLY A 30 . 1.884 23.850 7.674 1.00 15.54 . 1 67 10 ATOM C C GLY A 30 . 2.174 23.079 6.404 1.00 15.54 . 1 68 10 ATOM O O GLY A 30 . 1.620 21.970 6.233 1.00 15.54 . 1 69 11 ATOM N N ASN A 31 . 3.012 23.596 5.520 1.00 13.35 . 1 70 11 ATOM C CA ASN A 31 . 3.298 22.889 4.279 1.00 13.35 . 1 71 11 ATOM C C ASN A 31 . 3.898 21.513 4.535 1.00 13.35 . 1 72 11 ATOM O O ASN A 31 . 3.502 20.579 3.877 1.00 13.35 . 1 73 11 ATOM C CB ASN A 31 . 4.319 23.598 3.374 1.00 13.93 . 1 74 11 ATOM C CG ASN A 31 . 3.783 24.968 2.970 1.00 13.93 . 1 75 11 ATOM O OD1 ASN A 31 . 2.752 24.976 2.287 1.00 13.93 . 1 76 11 ATOM N ND2 ASN A 31 . 4.445 26.054 3.330 1.00 13.93 . 1 77 12 ATOM N N VAL A 32 . 4.865 21.424 5.408 1.00 13.75 . 1 78 12 ATOM C CA VAL A 32 . 5.520 20.143 5.681 1.00 13.75 . 1 79 12 ATOM C C VAL A 32 . 4.629 19.275 6.522 1.00 13.75 . 1 80 12 ATOM O O VAL A 32 . 4.351 18.128 6.163 1.00 13.75 . 1 81 12 ATOM C CB VAL A 32 . 6.847 20.384 6.408 1.00 12.57 . 1 82 12 ATOM C CG1 VAL A 32 . 7.572 19.064 6.601 1.00 12.57 . 1 83 12 ATOM C CG2 VAL A 32 . 7.744 21.283 5.613 1.00 12.57 . 1 84 13 ATOM N N GLY A 33 . 4.100 19.746 7.642 1.00 12.43 . 1 85 13 ATOM C CA GLY A 33 . 3.271 18.874 8.471 1.00 12.43 . 1 86 13 ATOM C C GLY A 33 . 2.085 18.283 7.778 1.00 12.43 . 1 87 13 ATOM O O GLY A 33 . 1.749 17.118 7.968 1.00 12.43 . 1 88 14 ATOM N N ALA A 34 . 1.414 19.055 6.951 1.00 11.36 . 1 89 14 ATOM C CA ALA A 34 . 0.251 18.604 6.174 1.00 11.36 . 1 90 14 ATOM C C ALA A 34 . 0.647 17.647 5.107 1.00 11.36 . 1 91 14 ATOM O O ALA A 34 . -0.121 16.687 4.800 1.00 11.36 . 1 92 14 ATOM C CB ALA A 34 . -0.463 19.870 5.649 1.00 10.98 . 1 93 15 ATOM N N ALA A 35 . 1.849 17.713 4.538 1.00 10.76 . 1 94 15 ATOM C CA ALA A 35 . 2.330 16.749 3.537 1.00 10.76 . 1 95 15 ATOM C C ALA A 35 . 2.675 15.434 4.233 1.00 10.76 . 1 96 15 ATOM O O ALA A 35 . 2.478 14.347 3.665 1.00 10.76 . 1 97 15 ATOM C CB ALA A 35 . 3.564 17.205 2.772 1.00 8.81 . 1 98 16 ATOM N N VAL A 36 . 3.197 15.516 5.465 1.00 11.59 . 1 99 16 ATOM C CA VAL A 36 . 3.504 14.317 6.289 1.00 11.59 . 1 100 16 ATOM C C VAL A 36 . 2.202 13.585 6.530 1.00 11.59 . 1 101 16 ATOM O O VAL A 36 . 2.088 12.377 6.294 1.00 11.59 . 1 102 16 ATOM C CB VAL A 36 . 4.150 14.682 7.614 1.00 11.11 . 1 103 16 ATOM C CG1 VAL A 36 . 4.256 13.500 8.551 1.00 11.11 . 1 104 16 ATOM C CG2 VAL A 36 . 5.590 15.216 7.326 1.00 11.11 . 1 105 17 ATOM N N ALA A 37 . 1.203 14.315 6.989 1.00 11.90 . 1 106 17 ATOM C CA ALA A 37 . -0.125 13.745 7.248 1.00 11.90 . 1 107 17 ATOM C C ALA A 37 . -0.699 13.160 6.004 1.00 11.90 . 1 108 17 ATOM O O ALA A 37 . -1.235 11.992 6.001 1.00 11.90 . 1 109 17 ATOM C CB ALA A 37 . -1.016 14.879 7.742 1.00 11.32 . 1 110 18 ATOM N N HIS A 38 . -0.648 13.827 4.846 1.00 12.79 . 1 111 18 ATOM C CA HIS A 38 . -1.220 13.245 3.622 1.00 12.79 . 1 112 18 ATOM C C HIS A 38 . -0.475 12.010 3.174 1.00 12.79 . 1 113 18 ATOM O O HIS A 38 . -1.067 11.022 2.662 1.00 12.79 . 1 114 18 ATOM C CB HIS A 38 . -1.245 14.341 2.536 1.00 12.58 . 1 115 18 ATOM C CG HIS A 38 . -2.041 13.936 1.325 1.00 12.58 . 1 116 18 ATOM N ND1 HIS A 38 . -1.882 14.541 0.067 1.00 12.58 . 1 117 18 ATOM C CD2 HIS A 38 . -2.999 12.980 1.199 1.00 12.58 . 1 118 18 ATOM C CE1 HIS A 38 . -2.726 13.918 -0.755 1.00 12.58 . 1 119 18 ATOM N NE2 HIS A 38 . -3.402 12.955 -0.097 1.00 12.58 . 1 120 19 ATOM N N GLY A 39 . 0.830 11.996 3.310 1.00 13.48 . 1 121 19 ATOM C CA GLY A 39 . 1.627 10.797 2.936 1.00 13.48 . 1 122 19 ATOM C C GLY A 39 . 1.273 9.590 3.800 1.00 13.48 . 1 123 19 ATOM O O GLY A 39 . 1.197 8.478 3.282 1.00 13.48 . 1 124 20 ATOM N N LEU A 40 . 1.074 9.791 5.118 1.00 12.16 . 1 125 20 ATOM C CA LEU A 40 . 0.692 8.737 6.038 1.00 12.16 . 1 126 20 ATOM C C LEU A 40 . -0.746 8.341 5.750 1.00 12.16 . 1 127 20 ATOM O O LEU A 40 . -0.975 7.143 5.535 1.00 12.16 . 1 128 20 ATOM C CB LEU A 40 . 0.738 9.227 7.472 1.00 9.60 . 1 129 20 ATOM C CG LEU A 40 . 2.150 9.538 8.000 1.00 9.60 . 1 130 20 ATOM C CD1 LEU A 40 . 2.057 10.338 9.253 1.00 9.60 . 1 131 20 ATOM C CD2 LEU A 40 . 2.894 8.229 8.232 1.00 9.60 . 1 132 21 ATOM N N ILE A 41 . -1.645 9.336 5.681 1.00 14.06 . 1 133 21 ATOM C CA ILE A 41 . -3.074 8.927 5.455 1.00 14.06 . 1 134 21 ATOM C C ILE A 41 . -3.324 8.256 4.139 1.00 14.06 . 1 135 21 ATOM O O ILE A 41 . -4.132 7.302 4.031 1.00 14.06 . 1 136 21 ATOM C CB ILE A 41 . -3.949 10.210 5.650 1.00 12.15 . 1 137 21 ATOM C CG1 ILE A 41 . -4.066 10.503 7.126 1.00 12.15 . 1 138 21 ATOM C CG2 ILE A 41 . -5.332 10.037 5.037 1.00 12.15 . 1 139 21 ATOM C CD1 ILE A 41 . -4.542 11.851 7.531 1.00 12.15 . 1 140 22 ATOM N N ALA A 42 . -2.634 8.663 3.065 1.00 16.97 . 1 141 22 ATOM C CA ALA A 42 . -2.797 8.083 1.739 1.00 16.97 . 1 142 22 ATOM C C ALA A 42 . -2.401 6.611 1.729 1.00 16.97 . 1 143 22 ATOM O O ALA A 42 . -2.973 5.797 1.008 1.00 16.97 . 1 144 22 ATOM C CB ALA A 42 . -1.984 8.917 0.743 1.00 15.79 . 1 145 23 ATOM N N GLN A 43 . -1.414 6.194 2.511 1.00 19.98 . 1 146 23 ATOM C CA GLN A 43 . -1.035 4.790 2.565 1.00 19.98 . 1 147 23 ATOM C C GLN A 43 . -1.723 4.082 3.742 1.00 19.98 . 1 148 23 ATOM O O GLN A 43 . -1.536 2.865 3.919 1.00 19.98 . 1 149 23 ATOM C CB GLN A 43 . 0.460 4.612 2.759 1.00 23.69 . 1 150 23 ATOM C CG GLN A 43 . 1.349 5.392 1.920 1.00 23.69 . 1 151 23 ATOM C CD GLN A 43 . 2.811 5.311 2.329 1.00 23.69 . 1 152 23 ATOM O OE1 GLN A 43 . 3.437 4.307 2.031 1.00 23.69 . 1 153 23 ATOM N NE2 GLN A 43 . 3.291 6.384 2.943 1.00 23.69 . 1 154 24 ATOM N N GLY A 44 . -2.442 4.785 4.590 1.00 18.31 . 1 155 24 ATOM C CA GLY A 44 . -3.080 4.099 5.729 1.00 18.31 . 1 156 24 ATOM C C GLY A 44 . -2.037 3.577 6.689 1.00 18.31 . 1 157 24 ATOM O O GLY A 44 . -2.179 2.436 7.114 1.00 18.31 . 1 158 25 ATOM N N VAL A 45 . -1.031 4.350 7.004 1.00 15.91 . 1 159 25 ATOM C CA VAL A 45 . 0.033 3.905 7.880 1.00 15.91 . 1 160 25 ATOM C C VAL A 45 . -0.395 3.829 9.345 1.00 15.91 . 1 161 25 ATOM O O VAL A 45 . -0.077 2.831 9.978 1.00 15.91 . 1 162 25 ATOM C CB VAL A 45 . 1.292 4.813 7.795 1.00 13.29 . 1 163 25 ATOM C CG1 VAL A 45 . 2.338 4.374 8.802 1.00 13.29 . 1 164 25 ATOM C CG2 VAL A 45 . 1.890 4.725 6.396 1.00 13.29 . 1 165 26 ATOM N N ALA A 46 . -1.034 4.849 9.881 1.00 12.24 . 1 166 26 ATOM C CA ALA A 46 . -1.434 4.878 11.262 1.00 12.24 . 1 167 26 ATOM C C ALA A 46 . -2.938 4.691 11.423 1.00 12.24 . 1 168 26 ATOM O O ALA A 46 . -3.699 4.700 10.465 1.00 12.24 . 1 169 26 ATOM C CB ALA A 46 . -1.033 6.202 11.914 1.00 11.35 . 1 170 27 ATOM N N ASP A 47 . -3.339 4.448 12.676 1.00 10.80 . 1 171 27 ATOM C CA ASP A 47 . -4.753 4.270 12.952 1.00 10.80 . 1 172 27 ATOM C C ASP A 47 . -5.298 5.566 13.496 1.00 10.80 . 1 173 27 ATOM O O ASP A 47 . -6.376 5.975 13.149 1.00 10.80 . 1 174 27 ATOM C CB ASP A 47 . -4.943 3.121 13.957 1.00 11.06 . 1 175 27 ATOM C CG ASP A 47 . -4.468 1.808 13.393 1.00 11.06 . 1 176 27 ATOM O OD1 ASP A 47 . -5.102 1.291 12.447 1.00 11.06 . 1 177 27 ATOM O OD2 ASP A 47 . -3.435 1.293 13.885 1.00 11.06 . 1 178 28 ATOM N N ASP A 48 . -4.556 6.206 14.398 1.00 11.80 . 1 179 28 ATOM C CA ASP A 48 . -4.927 7.420 15.080 1.00 11.80 . 1 180 28 ATOM C C ASP A 48 . -3.890 8.513 14.857 1.00 11.80 . 1 181 28 ATOM O O ASP A 48 . -2.690 8.246 14.954 1.00 11.80 . 1 182 28 ATOM C CB ASP A 48 . -5.049 7.182 16.590 1.00 15.59 . 1 183 28 ATOM C CG ASP A 48 . -6.059 6.128 16.953 1.00 15.59 . 1 184 28 ATOM O OD1 ASP A 48 . -7.231 6.142 16.522 1.00 15.59 . 1 185 28 ATOM O OD2 ASP A 48 . -5.697 5.169 17.686 1.00 15.59 . 1 186 29 ATOM N N TYR A 49 . -4.389 9.748 14.549 1.00 9.37 . 1 187 29 ATOM C CA TYR A 49 . -3.504 10.866 14.319 1.00 9.37 . 1 188 29 ATOM C C TYR A 49 . -3.899 12.024 15.222 1.00 9.37 . 1 189 29 ATOM O O TYR A 49 . -5.084 12.182 15.525 1.00 9.37 . 1 190 29 ATOM C CB TYR A 49 . -3.530 11.434 12.863 1.00 2.00 . 1 191 29 ATOM C CG TYR A 49 . -3.225 10.454 11.751 1.00 2.00 . 1 192 29 ATOM C CD1 TYR A 49 . -4.254 9.609 11.225 1.00 2.00 . 1 193 29 ATOM C CD2 TYR A 49 . -1.957 10.308 11.307 1.00 2.00 . 1 194 29 ATOM C CE1 TYR A 49 . -3.982 8.700 10.243 1.00 2.00 . 1 195 29 ATOM C CE2 TYR A 49 . -1.689 9.371 10.330 1.00 2.00 . 1 196 29 ATOM C CZ TYR A 49 . -2.686 8.614 9.792 1.00 2.00 . 1 197 29 ATOM O OH TYR A 49 . -2.348 7.711 8.769 1.00 2.00 . 1 198 30 ATOM N N VAL A 50 . -2.909 12.787 15.688 1.00 10.64 . 1 199 30 ATOM C CA VAL A 50 . -3.216 13.926 16.552 1.00 10.64 . 1 200 30 ATOM C C VAL A 50 . -2.586 15.127 15.853 1.00 10.64 . 1 201 30 ATOM O O VAL A 50 . -1.365 15.088 15.661 1.00 10.64 . 1 202 30 ATOM C CB VAL A 50 . -2.657 13.819 17.957 1.00 10.36 . 1 203 30 ATOM C CG1 VAL A 50 . -3.040 14.983 18.864 1.00 10.36 . 1 204 30 ATOM C CG2 VAL A 50 . -3.184 12.549 18.654 1.00 10.36 . 1 205 31 ATOM N N PHE A 51 . -3.419 16.109 15.452 1.00 11.52 . 1 206 31 ATOM C CA PHE A 51 . -2.858 17.284 14.729 1.00 11.52 . 1 207 31 ATOM C C PHE A 51 . -2.811 18.401 15.740 1.00 11.52 . 1 208 31 ATOM O O PHE A 51 . -3.808 18.576 16.439 1.00 11.52 . 1 209 31 ATOM C CB PHE A 51 . -3.685 17.710 13.541 1.00 12.35 . 1 210 31 ATOM C CG PHE A 51 . -3.715 16.817 12.334 1.00 12.35 . 1 211 31 ATOM C CD1 PHE A 51 . -2.881 15.719 12.247 1.00 12.35 . 1 212 31 ATOM C CD2 PHE A 51 . -4.573 17.037 11.259 1.00 12.35 . 1 213 31 ATOM C CE1 PHE A 51 . -2.912 14.831 11.195 1.00 12.35 . 1 214 31 ATOM C CE2 PHE A 51 . -4.581 16.149 10.195 1.00 12.35 . 1 215 31 ATOM C CZ PHE A 51 . -3.760 15.051 10.131 1.00 12.35 . 1 216 32 ATOM N N ILE A 52 . -1.707 19.084 15.897 1.00 12.91 . 1 217 32 ATOM C CA ILE A 52 . -1.625 20.177 16.854 1.00 12.91 . 1 218 32 ATOM C C ILE A 52 . -1.051 21.403 16.128 1.00 12.91 . 1 219 32 ATOM O O ILE A 52 . -0.021 21.279 15.456 1.00 12.91 . 1 220 32 ATOM C CB ILE A 52 . -0.732 19.849 18.072 1.00 14.51 . 1 221 32 ATOM C CG1 ILE A 52 . -1.375 18.747 18.939 1.00 14.51 . 1 222 32 ATOM C CG2 ILE A 52 . -0.486 21.086 18.913 1.00 14.51 . 1 223 32 ATOM C CD1 ILE A 52 . -0.638 18.275 20.151 1.00 14.51 . 1 224 33 ATOM N N ASP A 53 . -1.726 22.548 16.252 1.00 14.65 . 1 225 33 ATOM C CA ASP A 53 . -1.195 23.747 15.608 1.00 14.65 . 1 226 33 ATOM C C ASP A 53 . -1.645 24.957 16.402 1.00 14.65 . 1 227 33 ATOM O O ASP A 53 . -2.782 24.871 16.884 1.00 14.65 . 1 228 33 ATOM C CB ASP A 53 . -1.697 23.920 14.184 1.00 15.67 . 1 229 33 ATOM C CG ASP A 53 . -0.824 24.844 13.362 1.00 15.67 . 1 230 33 ATOM O OD1 ASP A 53 . -0.739 26.036 13.688 1.00 15.67 . 1 231 33 ATOM O OD2 ASP A 53 . -0.155 24.371 12.437 1.00 15.67 . 1 232 34 ATOM N N ALA A 54 . -0.832 25.970 16.511 1.00 18.17 . 1 233 34 ATOM C CA ALA A 54 . -1.184 27.167 17.257 1.00 18.17 . 1 234 34 ATOM C C ALA A 54 . -2.343 27.887 16.578 1.00 18.17 . 1 235 34 ATOM O O ALA A 54 . -3.229 28.524 17.203 1.00 18.17 . 1 236 34 ATOM C CB ALA A 54 . 0.041 28.064 17.356 1.00 15.54 . 1 237 35 ATOM N N ASN A 55 . -2.372 27.833 15.256 1.00 20.42 . 1 238 35 ATOM C CA ASN A 55 . -3.440 28.436 14.491 1.00 20.42 . 1 239 35 ATOM C C ASN A 55 . -4.585 27.451 14.463 1.00 20.42 . 1 240 35 ATOM O O ASN A 55 . -4.543 26.457 13.750 1.00 20.42 . 1 241 35 ATOM C CB ASN A 55 . -2.953 28.744 13.083 1.00 22.10 . 1 242 35 ATOM C CG ASN A 55 . -3.986 29.367 12.172 1.00 22.10 . 1 243 35 ATOM O OD1 ASN A 55 . -5.098 29.729 12.531 1.00 22.10 . 1 244 35 ATOM N ND2 ASN A 55 . -3.650 29.480 10.911 1.00 22.10 . 1 245 36 ATOM N N GLU A 56 . -5.595 27.727 15.269 1.00 24.09 . 1 246 36 ATOM C CA GLU A 56 . -6.752 26.846 15.375 1.00 24.09 . 1 247 36 ATOM C C GLU A 56 . -7.554 26.660 14.115 1.00 24.09 . 1 248 36 ATOM O O GLU A 56 . -7.858 25.524 13.746 1.00 24.09 . 1 249 36 ATOM C CB GLU A 56 . -7.726 27.421 16.423 1.00 31.60 . 1 250 36 ATOM C CG GLU A 56 . -7.140 27.381 17.788 1.00 31.60 . 1 251 36 ATOM C CD GLU A 56 . -7.888 26.487 18.779 1.00 31.60 . 1 252 36 ATOM O OE1 GLU A 56 . -9.156 26.463 18.712 1.00 31.60 . 1 253 36 ATOM O OE2 GLU A 56 . -7.155 25.869 19.629 1.00 31.60 . 1 254 37 ATOM N N ALA A 57 . -7.920 27.729 13.425 1.00 21.65 . 1 255 37 ATOM C CA ALA A 57 . -8.734 27.577 12.198 1.00 21.65 . 1 256 37 ATOM C C ALA A 57 . -8.022 26.744 11.152 1.00 21.65 . 1 257 37 ATOM O O ALA A 57 . -8.706 25.970 10.460 1.00 21.65 . 1 258 37 ATOM C CB ALA A 57 . -9.084 28.949 11.648 1.00 21.28 . 1 259 38 ATOM N N LYS A 58 . -6.710 26.845 11.016 1.00 19.24 . 1 260 38 ATOM C CA LYS A 58 . -5.962 26.082 10.037 1.00 19.24 . 1 261 38 ATOM C C LYS A 58 . -6.019 24.585 10.290 1.00 19.24 . 1 262 38 ATOM O O LYS A 58 . -6.341 23.790 9.419 1.00 19.24 . 1 263 38 ATOM C CB LYS A 58 . -4.476 26.440 10.045 1.00 20.22 . 1 264 38 ATOM C CG LYS A 58 . -3.709 26.400 8.780 1.00 20.22 . 1 265 38 ATOM C CD LYS A 58 . -4.007 25.229 7.871 1.00 20.22 . 1 266 38 ATOM C CE LYS A 58 . -3.004 25.127 6.734 1.00 20.22 . 1 267 38 ATOM N NZ LYS A 58 . -2.467 23.713 6.535 1.00 20.22 . 1 268 39 ATOM N N VAL A 59 . -5.689 24.187 11.528 1.00 19.32 . 1 269 39 ATOM C CA VAL A 59 . -5.676 22.761 11.857 1.00 19.32 . 1 270 39 ATOM C C VAL A 59 . -7.060 22.144 11.773 1.00 19.32 . 1 271 39 ATOM O O VAL A 59 . -7.245 21.017 11.277 1.00 19.32 . 1 272 39 ATOM C CB VAL A 59 . -5.028 22.567 13.245 1.00 18.23 . 1 273 39 ATOM C CG1 VAL A 59 . -5.946 22.914 14.383 1.00 18.23 . 1 274 39 ATOM C CG2 VAL A 59 . -4.611 21.113 13.323 1.00 18.23 . 1 275 40 ATOM N N LYS A 60 . -8.085 22.875 12.154 1.00 19.35 . 1 276 40 ATOM C CA LYS A 60 . -9.473 22.379 12.050 1.00 19.35 . 1 277 40 ATOM C C LYS A 60 . -9.857 22.250 10.599 1.00 19.35 . 1 278 40 ATOM O O LYS A 60 . -10.592 21.337 10.206 1.00 19.35 . 1 279 40 ATOM C CB LYS A 60 . -10.350 23.321 12.853 1.00 27.47 . 1 280 40 ATOM C CG LYS A 60 . -11.826 23.172 12.778 1.00 27.47 . 1 281 40 ATOM C CD LYS A 60 . -12.331 21.758 12.748 1.00 27.47 . 1 282 40 ATOM C CE LYS A 60 . -13.270 21.430 13.932 1.00 27.47 . 1 283 40 ATOM N NZ LYS A 60 . -12.877 20.141 14.669 1.00 27.47 . 1 284 41 ATOM N N ALA A 61 . -9.354 23.129 9.713 1.00 17.57 . 1 285 41 ATOM C CA ALA A 61 . -9.599 23.058 8.282 1.00 17.57 . 1 286 41 ATOM C C ALA A 61 . -9.020 21.807 7.670 1.00 17.57 . 1 287 41 ATOM O O ALA A 61 . -9.689 21.119 6.876 1.00 17.57 . 1 288 41 ATOM C CB ALA A 61 . -8.956 24.242 7.545 1.00 17.55 . 1 289 42 ATOM N N ASP A 62 . -7.787 21.478 8.067 1.00 17.73 . 1 290 42 ATOM C CA ASP A 62 . -7.115 20.263 7.602 1.00 17.73 . 1 291 42 ATOM C C ASP A 62 . -7.766 18.995 8.152 1.00 17.73 . 1 292 42 ATOM O O ASP A 62 . -7.857 17.967 7.471 1.00 17.73 . 1 293 42 ATOM C CB ASP A 62 . -5.631 20.263 8.010 1.00 19.91 . 1 294 42 ATOM C CG ASP A 62 . -4.790 21.086 7.072 1.00 19.91 . 1 295 42 ATOM O OD1 ASP A 62 . -5.080 21.165 5.842 1.00 19.91 . 1 296 42 ATOM O OD2 ASP A 62 . -3.798 21.706 7.468 1.00 19.91 . 1 297 43 ATOM N N GLN A 63 . -8.237 19.021 9.404 1.00 15.66 . 1 298 43 ATOM C CA GLN A 63 . -8.911 17.862 9.979 1.00 15.66 . 1 299 43 ATOM C C GLN A 63 . -10.148 17.510 9.178 1.00 15.66 . 1 300 43 ATOM O O GLN A 63 . -10.315 16.364 8.752 1.00 15.66 . 1 301 43 ATOM C CB GLN A 63 . -9.315 18.198 11.422 1.00 16.11 . 1 302 43 ATOM C CG GLN A 63 . -10.196 17.098 11.964 1.00 16.11 . 1 303 43 ATOM C CD GLN A 63 . -10.721 17.368 13.342 1.00 16.11 . 1 304 43 ATOM O OE1 GLN A 63 . -11.154 18.475 13.644 1.00 16.11 . 1 305 43 ATOM N NE2 GLN A 63 . -10.763 16.330 14.165 1.00 16.11 . 1 306 44 ATOM N N ILE A 64 . -11.009 18.502 8.953 1.00 14.64 . 1 307 44 ATOM C CA ILE A 64 . -12.241 18.302 8.184 1.00 14.64 . 1 308 44 ATOM C C ILE A 64 . -11.967 17.851 6.751 1.00 14.64 . 1 309 44 ATOM O O ILE A 64 . -12.597 16.948 6.200 1.00 14.64 . 1 310 44 ATOM C CB ILE A 64 . -13.079 19.579 8.102 1.00 17.40 . 1 311 44 ATOM C CG1 ILE A 64 . -13.457 20.182 9.461 1.00 17.40 . 1 312 44 ATOM C CG2 ILE A 64 . -14.371 19.260 7.339 1.00 17.40 . 1 313 44 ATOM C CD1 ILE A 64 . -14.357 19.224 10.252 1.00 17.40 . 1 314 45 ATOM N N ASP A 65 . -11.025 18.494 6.099 1.00 14.05 . 1 315 45 ATOM C CA ASP A 65 . -10.686 18.159 4.698 1.00 14.05 . 1 316 45 ATOM C C ASP A 65 . -10.226 16.740 4.600 1.00 14.05 . 1 317 45 ATOM O O ASP A 65 . -10.606 16.045 3.648 1.00 14.05 . 1 318 45 ATOM C CB ASP A 65 . -9.651 19.174 4.194 1.00 14.22 . 1 319 45 ATOM C CG ASP A 65 . -9.500 19.222 2.694 1.00 14.22 . 1 320 45 ATOM O OD1 ASP A 65 . -10.389 18.725 1.956 1.00 14.22 . 1 321 45 ATOM O OD2 ASP A 65 . -8.477 19.747 2.226 1.00 14.22 . 1 322 46 ATOM N N PHE A 66 . -9.456 16.248 5.578 1.00 12.92 . 1 323 46 ATOM C CA PHE A 66 . -9.017 14.834 5.629 1.00 12.92 . 1 324 46 ATOM C C PHE A 66 . -10.173 13.896 5.951 1.00 12.92 . 1 325 46 ATOM O O PHE A 66 . -10.333 12.822 5.345 1.00 12.92 . 1 326 46 ATOM C CB PHE A 66 . -7.918 14.632 6.665 1.00 9.14 . 1 327 46 ATOM C CG PHE A 66 . -6.535 14.916 6.134 1.00 9.14 . 1 328 46 ATOM C CD1 PHE A 66 . -6.029 14.226 5.077 1.00 9.14 . 1 329 46 ATOM C CD2 PHE A 66 . -5.728 15.856 6.781 1.00 9.14 . 1 330 46 ATOM C CE1 PHE A 66 . -4.761 14.517 4.572 1.00 9.14 . 1 331 46 ATOM C CE2 PHE A 66 . -4.461 16.138 6.301 1.00 9.14 . 1 332 46 ATOM C CZ PHE A 66 . -3.981 15.445 5.223 1.00 9.14 . 1 333 47 ATOM N N GLN A 67 . -11.056 14.325 6.851 1.00 13.69 . 1 334 47 ATOM C CA GLN A 67 . -12.233 13.540 7.187 1.00 13.69 . 1 335 47 ATOM C C GLN A 67 . -13.206 13.454 6.044 1.00 13.69 . 1 336 47 ATOM O O GLN A 67 . -13.989 12.483 5.960 1.00 13.69 . 1 337 47 ATOM C CB GLN A 67 . -12.943 14.153 8.413 1.00 15.57 . 1 338 47 ATOM C CG GLN A 67 . -12.089 14.081 9.648 1.00 15.57 . 1 339 47 ATOM C CD GLN A 67 . -12.757 14.662 10.860 1.00 15.57 . 1 340 47 ATOM O OE1 GLN A 67 . -12.483 14.202 12.028 1.00 15.57 . 1 341 47 ATOM N NE2 GLN A 67 . -13.594 15.663 10.721 1.00 15.57 . 1 342 48 ATOM N N ASP A 68 . -13.200 14.395 5.130 1.00 14.91 . 1 343 48 ATOM C CA ASP A 68 . -14.011 14.378 3.914 1.00 14.91 . 1 344 48 ATOM C C ASP A 68 . -13.423 13.416 2.890 1.00 14.91 . 1 345 48 ATOM O O ASP A 68 . -14.141 12.877 2.043 1.00 14.91 . 1 346 48 ATOM C CB ASP A 68 . -14.088 15.770 3.267 1.00 15.80 . 1 347 48 ATOM C CG ASP A 68 . -14.956 16.718 4.042 1.00 15.80 . 1 348 48 ATOM O OD1 ASP A 68 . -15.773 16.305 4.906 1.00 15.80 . 1 349 48 ATOM O OD2 ASP A 68 . -14.851 17.960 3.835 1.00 15.80 . 1 350 49 ATOM N N ALA A 69 . -12.131 13.123 3.000 1.00 12.73 . 1 351 49 ATOM C CA ALA A 69 . -11.477 12.189 2.097 1.00 12.73 . 1 352 49 ATOM C C ALA A 69 . -11.737 10.771 2.465 1.00 12.73 . 1 353 49 ATOM O O ALA A 69 . -11.718 9.831 1.666 1.00 12.73 . 1 354 49 ATOM C CB ALA A 69 . -9.954 12.456 2.172 1.00 12.47 . 1 355 50 ATOM N N MET A 70 . -11.959 10.521 3.776 1.00 14.05 . 1 356 50 ATOM C CA MET A 70 . -12.153 9.171 4.324 1.00 14.05 . 1 357 50 ATOM C C MET A 70 . -13.173 8.370 3.577 1.00 14.05 . 1 358 50 ATOM O O MET A 70 . -12.861 7.175 3.235 1.00 14.05 . 1 359 50 ATOM C CB MET A 70 . -12.556 9.203 5.826 1.00 14.54 . 1 360 50 ATOM C CG MET A 70 . -11.494 9.535 6.851 1.00 14.54 . 1 361 50 ATOM S SD MET A 70 . -10.073 8.400 6.727 1.00 14.54 . 1 362 50 ATOM C CE MET A 70 . -8.843 9.467 7.563 1.00 14.54 . 1 363 51 ATOM N N ALA A 71 . -14.353 8.822 3.190 1.00 12.57 . 1 364 51 ATOM C CA ALA A 71 . -15.259 7.933 2.468 1.00 12.57 . 1 365 51 ATOM C C ALA A 71 . -14.665 7.430 1.188 1.00 12.57 . 1 366 51 ATOM O O ALA A 71 . -15.138 6.421 0.654 1.00 12.57 . 1 367 51 ATOM C CB ALA A 71 . -16.561 8.623 2.048 1.00 13.46 . 1 368 52 ATOM N N ASN A 72 . -13.710 8.158 0.607 1.00 14.29 . 1 369 52 ATOM C CA ASN A 72 . -13.119 7.740 -0.650 1.00 14.29 . 1 370 52 ATOM C C ASN A 72 . -11.717 7.207 -0.516 1.00 14.29 . 1 371 52 ATOM O O ASN A 72 . -11.062 6.912 -1.548 1.00 14.29 . 1 372 52 ATOM C CB ASN A 72 . -13.173 8.904 -1.669 1.00 15.19 . 1 373 52 ATOM C CG ASN A 72 . -14.590 9.241 -2.081 1.00 15.19 . 1 374 52 ATOM O OD1 ASN A 72 . -15.403 8.356 -2.365 1.00 15.19 . 1 375 52 ATOM N ND2 ASN A 72 . -14.937 10.502 -2.072 1.00 15.19 . 1 376 53 ATOM N N LEU A 73 . -11.246 7.050 0.732 1.00 16.66 . 1 377 53 ATOM C CA LEU A 73 . -9.899 6.458 0.944 1.00 16.66 . 1 378 53 ATOM C C LEU A 73 . -10.019 4.951 1.152 1.00 16.66 . 1 379 53 ATOM O O LEU A 73 . -11.104 4.461 1.529 1.00 16.66 . 1 380 53 ATOM C CB LEU A 73 . -9.215 7.086 2.138 1.00 14.10 . 1 381 53 ATOM C CG LEU A 73 . -8.571 8.443 2.006 1.00 14.10 . 1 382 53 ATOM C CD1 LEU A 73 . -8.307 9.064 3.346 1.00 14.10 . 1 383 53 ATOM C CD2 LEU A 73 . -7.233 8.334 1.270 1.00 14.10 . 1 384 54 ATOM N N GLU A 74 . -8.966 4.182 0.979 1.00 19.23 . 1 385 54 ATOM C CA GLU A 74 . -9.013 2.733 1.171 1.00 19.23 . 1 386 54 ATOM C C GLU A 74 . -8.850 2.288 2.613 1.00 19.23 . 1 387 54 ATOM O O GLU A 74 . -9.404 1.258 3.018 1.00 19.23 . 1 388 54 ATOM C CB GLU A 74 . -7.891 2.062 0.355 1.00 26.71 . 1 389 54 ATOM C CG GLU A 74 . -8.312 1.914 -1.071 1.00 26.71 . 1 390 54 ATOM C CD GLU A 74 . -7.372 2.622 -2.029 1.00 26.71 . 1 391 54 ATOM O OE1 GLU A 74 . -7.424 3.875 -2.166 1.00 26.71 . 1 392 54 ATOM O OE2 GLU A 74 . -6.568 1.864 -2.691 1.00 26.71 . 1 393 55 ATOM N N ALA A 75 . -8.121 3.016 3.411 1.00 16.44 . 1 394 55 ATOM C CA ALA A 75 . -7.850 2.704 4.807 1.00 16.44 . 1 395 55 ATOM C C ALA A 75 . -8.421 3.805 5.682 1.00 16.44 . 1 396 55 ATOM O O ALA A 75 . -8.458 4.937 5.216 1.00 16.44 . 1 397 55 ATOM C CB ALA A 75 . -6.350 2.665 5.027 1.00 15.12 . 1 398 56 ATOM N N HIS A 76 . -8.808 3.454 6.895 1.00 13.40 . 1 399 56 ATOM C CA HIS A 76 . -9.394 4.419 7.836 1.00 13.40 . 1 400 56 ATOM C C HIS A 76 . -8.357 4.948 8.812 1.00 13.40 . 1 401 56 ATOM O O HIS A 76 . -7.393 4.274 9.159 1.00 13.40 . 1 402 56 ATOM C CB HIS A 76 . -10.549 3.755 8.595 1.00 12.73 . 1 403 56 ATOM C CG HIS A 76 . -11.120 4.590 9.702 1.00 12.73 . 1 404 56 ATOM N ND1 HIS A 76 . -12.217 5.431 9.478 1.00 12.73 . 1 405 56 ATOM C CD2 HIS A 76 . -10.754 4.769 10.992 1.00 12.73 . 1 406 56 ATOM C CE1 HIS A 76 . -12.489 6.085 10.593 1.00 12.73 . 1 407 56 ATOM N NE2 HIS A 76 . -11.622 5.699 11.515 1.00 12.73 . 1 408 57 ATOM N N GLY A 77 . -8.573 6.189 9.256 1.00 11.14 . 1 409 57 ATOM C CA GLY A 77 . -7.660 6.784 10.245 1.00 11.14 . 1 410 57 ATOM C C GLY A 77 . -8.518 7.735 11.064 1.00 11.14 . 1 411 57 ATOM O O GLY A 77 . -9.474 8.260 10.518 1.00 11.14 . 1 412 58 ATOM N N ASN A 78 . -8.225 7.889 12.337 1.00 12.13 . 1 413 58 ATOM C CA ASN A 78 . -8.978 8.773 13.219 1.00 12.13 . 1 414 58 ATOM C C ASN A 78 . -8.154 9.992 13.449 1.00 12.13 . 1 415 58 ATOM O O ASN A 78 . -6.920 9.898 13.591 1.00 12.13 . 1 416 58 ATOM C CB ASN A 78 . -9.221 8.081 14.584 1.00 13.33 . 1 417 58 ATOM C CG ASN A 78 . -9.981 6.805 14.441 1.00 13.33 . 1 418 58 ATOM O OD1 ASN A 78 . -11.178 6.835 14.053 1.00 13.33 . 1 419 58 ATOM N ND2 ASN A 78 . -9.369 5.652 14.711 1.00 13.33 . 1 420 59 ATOM N N ILE A 79 . -8.770 11.190 13.488 1.00 14.00 . 1 421 59 ATOM C CA ILE A 79 . -7.975 12.423 13.681 1.00 14.00 . 1 422 59 ATOM C C ILE A 79 . -8.503 13.309 14.765 1.00 14.00 . 1 423 59 ATOM O O ILE A 79 . -9.671 13.608 14.718 1.00 14.00 . 1 424 59 ATOM C CB ILE A 79 . -7.969 13.268 12.376 1.00 13.36 . 1 425 59 ATOM C CG1 ILE A 79 . -7.413 12.471 11.204 1.00 13.36 . 1 426 59 ATOM C CG2 ILE A 79 . -7.137 14.546 12.540 1.00 13.36 . 1 427 59 ATOM C CD1 ILE A 79 . -7.778 12.917 9.842 1.00 13.36 . 1 428 60 ATOM N N VAL A 80 . -7.686 13.701 15.732 1.00 13.93 . 1 429 60 ATOM C CA VAL A 80 . -8.151 14.598 16.786 1.00 13.93 . 1 430 60 ATOM C C VAL A 80 . -7.221 15.792 16.713 1.00 13.93 . 1 431 60 ATOM O O VAL A 80 . -6.116 15.673 16.170 1.00 13.93 . 1 432 60 ATOM C CB VAL A 80 . -8.138 14.072 18.235 1.00 14.63 . 1 433 60 ATOM C CG1 VAL A 80 . -8.958 12.767 18.306 1.00 14.63 . 1 434 60 ATOM C CG2 VAL A 80 . -6.769 13.798 18.792 1.00 14.63 . 1 435 61 ATOM N N ILE A 81 . -7.681 16.956 17.164 1.00 15.82 . 1 436 61 ATOM C CA ILE A 81 . -6.824 18.135 17.079 1.00 15.82 . 1 437 61 ATOM C C ILE A 81 . -6.610 18.785 18.426 1.00 15.82 . 1 438 61 ATOM O O ILE A 81 . -7.414 18.660 19.347 1.00 15.82 . 1 439 61 ATOM C CB ILE A 81 . -7.368 19.205 16.093 1.00 15.90 . 1 440 61 ATOM C CG1 ILE A 81 . -8.693 19.743 16.613 1.00 15.90 . 1 441 61 ATOM C CG2 ILE A 81 . -7.516 18.619 14.709 1.00 15.90 . 1 442 61 ATOM C CD1 ILE A 81 . -9.305 20.844 15.762 1.00 15.90 . 1 443 62 ATOM N N ASN A 82 . -5.480 19.455 18.541 1.00 17.91 . 1 444 62 ATOM C CA ASN A 82 . -5.041 20.196 19.686 1.00 17.91 . 1 445 62 ATOM C C ASN A 82 . -5.413 19.588 21.011 1.00 17.91 . 1 446 62 ATOM O O ASN A 82 . -5.991 20.248 21.883 1.00 17.91 . 1 447 62 ATOM C CB ASN A 82 . -5.606 21.624 19.617 1.00 18.34 . 1 448 62 ATOM C CG ASN A 82 . -4.939 22.445 18.533 1.00 18.34 . 1 449 62 ATOM O OD1 ASN A 82 . -4.002 22.006 17.869 1.00 18.34 . 1 450 62 ATOM N ND2 ASN A 82 . -5.456 23.658 18.314 1.00 18.34 . 1 451 63 ATOM N N ASP A 83 . -5.001 18.348 21.217 1.00 18.75 . 1 452 63 ATOM C CA ASP A 83 . -5.255 17.616 22.447 1.00 18.75 . 1 453 63 ATOM C C ASP A 83 . -3.948 17.014 22.902 1.00 18.75 . 1 454 63 ATOM O O ASP A 83 . -3.616 15.939 22.362 1.00 18.75 . 1 455 63 ATOM C CB ASP A 83 . -6.265 16.499 22.159 1.00 22.36 . 1 456 63 ATOM C CG ASP A 83 . -6.717 15.796 23.423 1.00 22.36 . 1 457 63 ATOM O OD1 ASP A 83 . -6.346 16.194 24.563 1.00 22.36 . 1 458 63 ATOM O OD2 ASP A 83 . -7.474 14.811 23.288 1.00 22.36 . 1 459 64 ATOM N N TRP A 84 . -3.231 17.672 23.795 1.00 16.91 . 1 460 64 ATOM C CA TRP A 84 . -1.939 17.152 24.251 1.00 16.91 . 1 461 64 ATOM C C TRP A 84 . -2.011 15.803 24.927 1.00 16.91 . 1 462 64 ATOM O O TRP A 84 . -1.199 14.893 24.702 1.00 16.91 . 1 463 64 ATOM C CB TRP A 84 . -1.308 18.175 25.209 1.00 15.20 . 1 464 64 ATOM C CG TRP A 84 . -0.858 19.428 24.515 1.00 15.20 . 1 465 64 ATOM C CD1 TRP A 84 . -1.478 20.642 24.534 1.00 15.20 . 1 466 64 ATOM C CD2 TRP A 84 . 0.320 19.593 23.711 1.00 15.20 . 1 467 64 ATOM N NE1 TRP A 84 . -0.759 21.550 23.798 1.00 15.20 . 1 468 64 ATOM C CE2 TRP A 84 . 0.357 20.913 23.262 1.00 15.20 . 1 469 64 ATOM C CE3 TRP A 84 . 1.357 18.741 23.332 1.00 15.20 . 1 470 64 ATOM C CZ2 TRP A 84 . 1.377 21.435 22.485 1.00 15.20 . 1 471 64 ATOM C CZ3 TRP A 84 . 2.370 19.240 22.531 1.00 15.20 . 1 472 64 ATOM C CH2 TRP A 84 . 2.376 20.566 22.109 1.00 15.20 . 1 473 65 ATOM N N ALA A 85 . -3.038 15.578 25.737 1.00 17.99 . 1 474 65 ATOM C CA ALA A 85 . -3.204 14.313 26.455 1.00 17.99 . 1 475 65 ATOM C C ALA A 85 . -3.352 13.156 25.514 1.00 17.99 . 1 476 65 ATOM O O ALA A 85 . -2.937 12.016 25.848 1.00 17.99 . 1 477 65 ATOM C CB ALA A 85 . -4.400 14.389 27.408 1.00 16.57 . 1 478 66 ATOM N N ALA A 86 . -3.826 13.360 24.287 1.00 18.31 . 1 479 66 ATOM C CA ALA A 86 . -3.939 12.337 23.267 1.00 18.31 . 1 480 66 ATOM C C ALA A 86 . -2.574 11.874 22.789 1.00 18.31 . 1 481 66 ATOM O O ALA A 86 . -2.512 10.841 22.100 1.00 18.31 . 1 482 66 ATOM C CB ALA A 86 . -4.728 12.885 22.069 1.00 18.24 . 1 483 67 ATOM N N LEU A 87 . -1.501 12.579 23.096 1.00 17.70 . 1 484 67 ATOM C CA LEU A 87 . -0.167 12.142 22.738 1.00 17.70 . 1 485 67 ATOM C C LEU A 87 . 0.451 11.114 23.656 1.00 17.70 . 1 486 67 ATOM O O LEU A 87 . 1.447 10.462 23.305 1.00 17.70 . 1 487 67 ATOM C CB LEU A 87 . 0.718 13.404 22.766 1.00 15.39 . 1 488 67 ATOM C CG LEU A 87 . 0.480 14.333 21.566 1.00 15.39 . 1 489 67 ATOM C CD1 LEU A 87 . 1.621 15.332 21.528 1.00 15.39 . 1 490 67 ATOM C CD2 LEU A 87 . 0.461 13.584 20.250 1.00 15.39 . 1 491 68 ATOM N N ALA A 88 . -0.109 10.870 24.820 1.00 19.10 . 1 492 68 ATOM C CA ALA A 88 . 0.367 9.962 25.829 1.00 19.10 . 1 493 68 ATOM C C ALA A 88 . 0.764 8.595 25.294 1.00 19.10 . 1 494 68 ATOM O O ALA A 88 . 1.857 8.104 25.633 1.00 19.10 . 1 495 68 ATOM C CB ALA A 88 . -0.720 9.735 26.878 1.00 18.33 . 1 496 69 ATOM N N ASP A 89 . -0.045 8.014 24.430 1.00 20.80 . 1 497 69 ATOM C CA ASP A 89 . 0.287 6.696 23.869 1.00 20.80 . 1 498 69 ATOM C C ASP A 89 . 0.658 6.740 22.387 1.00 20.80 . 1 499 69 ATOM O O ASP A 89 . 0.505 5.743 21.656 1.00 20.80 . 1 500 69 ATOM C CB ASP A 89 . -0.884 5.738 24.085 1.00 23.82 . 1 501 69 ATOM C CG ASP A 89 . -2.162 6.205 23.460 1.00 23.82 . 1 502 69 ATOM O OD1 ASP A 89 . -2.461 7.427 23.375 1.00 23.82 . 1 503 69 ATOM O OD2 ASP A 89 . -2.915 5.295 23.037 1.00 23.82 . 1 504 70 ATOM N N ALA A 90 . 1.203 7.877 21.941 1.00 18.01 . 1 505 70 ATOM C CA ALA A 90 . 1.645 7.947 20.555 1.00 18.01 . 1 506 70 ATOM C C ALA A 90 . 2.977 7.238 20.432 1.00 18.01 . 1 507 70 ATOM O O ALA A 90 . 3.825 7.278 21.345 1.00 18.01 . 1 508 70 ATOM C CB ALA A 90 . 1.751 9.410 20.183 1.00 16.55 . 1 509 71 ATOM N N ASP A 91 . 3.198 6.600 19.282 1.00 16.64 . 1 510 71 ATOM C CA ASP A 91 . 4.454 5.902 19.002 1.00 16.64 . 1 511 71 ATOM C C ASP A 91 . 5.523 6.904 18.636 1.00 16.64 . 1 512 71 ATOM O O ASP A 91 . 6.679 6.823 19.021 1.00 16.64 . 1 513 71 ATOM C CB ASP A 91 . 4.305 4.943 17.833 1.00 16.11 . 1 514 71 ATOM C CG ASP A 91 . 3.267 3.896 18.087 1.00 16.11 . 1 515 71 ATOM O OD1 ASP A 91 . 2.060 4.152 17.972 1.00 16.11 . 1 516 71 ATOM O OD2 ASP A 91 . 3.629 2.741 18.401 1.00 16.11 . 1 517 72 ATOM N N VAL A 92 . 5.122 7.845 17.737 1.00 14.26 . 1 518 72 ATOM C CA VAL A 92 . 5.987 8.876 17.190 1.00 14.26 . 1 519 72 ATOM C C VAL A 92 . 5.302 10.218 17.192 1.00 14.26 . 1 520 72 ATOM O O VAL A 92 . 4.087 10.291 16.981 1.00 14.26 . 1 521 72 ATOM C CB VAL A 92 . 6.353 8.508 15.735 1.00 14.85 . 1 522 72 ATOM C CG1 VAL A 92 . 7.366 9.526 15.228 1.00 14.85 . 1 523 72 ATOM C CG2 VAL A 92 . 7.020 7.167 15.552 1.00 14.85 . 1 524 73 ATOM N N VAL A 93 . 6.049 11.248 17.518 1.00 13.74 . 1 525 73 ATOM C CA VAL A 93 . 5.523 12.619 17.471 1.00 13.74 . 1 526 73 ATOM C C VAL A 93 . 6.458 13.371 16.499 1.00 13.74 . 1 527 73 ATOM O O VAL A 93 . 7.700 13.262 16.667 1.00 13.74 . 1 528 73 ATOM C CB VAL A 93 . 5.415 13.349 18.790 1.00 11.60 . 1 529 73 ATOM C CG1 VAL A 93 . 5.124 14.843 18.637 1.00 11.60 . 1 530 73 ATOM C CG2 VAL A 93 . 4.246 12.805 19.623 1.00 11.60 . 1 531 74 ATOM N N ILE A 94 . 5.902 14.002 15.465 1.00 14.15 . 1 532 74 ATOM C CA ILE A 94 . 6.707 14.727 14.463 1.00 14.15 . 1 533 74 ATOM C C ILE A 94 . 6.546 16.218 14.626 1.00 14.15 . 1 534 74 ATOM O O ILE A 94 . 5.421 16.706 14.658 1.00 14.15 . 1 535 74 ATOM C CB ILE A 94 . 6.323 14.279 13.057 1.00 14.42 . 1 536 74 ATOM C CG1 ILE A 94 . 6.625 12.810 12.898 1.00 14.42 . 1 537 74 ATOM C CG2 ILE A 94 . 7.158 15.035 12.012 1.00 14.42 . 1 538 74 ATOM C CD1 ILE A 94 . 6.045 12.053 11.796 1.00 14.42 . 1 539 75 ATOM N N SER A 95 . 7.638 16.935 14.848 1.00 14.68 . 1 540 75 ATOM C CA SER A 95 . 7.603 18.379 15.020 1.00 14.68 . 1 541 75 ATOM C C SER A 95 . 7.910 19.099 13.720 1.00 14.68 . 1 542 75 ATOM O O SER A 95 . 9.034 19.032 13.199 1.00 14.68 . 1 543 75 ATOM C CB SER A 95 . 8.611 18.827 16.065 1.00 15.09 . 1 544 75 ATOM O OG SER A 95 . 8.581 20.264 16.151 1.00 15.09 . 1 545 76 ATOM N N THR A 96 . 6.899 19.750 13.157 1.00 17.08 . 1 546 76 ATOM C CA THR A 96 . 7.051 20.448 11.889 1.00 17.08 . 1 547 76 ATOM C C THR A 96 . 6.632 21.910 11.998 1.00 17.08 . 1 548 76 ATOM O O THR A 96 . 6.267 22.546 10.994 1.00 17.08 . 1 549 76 ATOM C CB THR A 96 . 6.255 19.712 10.813 1.00 17.10 . 1 550 76 ATOM O OG1 THR A 96 . 4.999 19.286 11.332 1.00 17.10 . 1 551 76 ATOM C CG2 THR A 96 . 6.937 18.431 10.341 1.00 17.10 . 1 552 77 ATOM N N LEU A 97 . 6.690 22.491 13.163 1.00 16.74 . 1 553 77 ATOM C CA LEU A 97 . 6.356 23.869 13.434 1.00 16.74 . 1 554 77 ATOM C C LEU A 97 . 7.506 24.771 12.984 1.00 16.74 . 1 555 77 ATOM O O LEU A 97 . 8.661 24.340 12.857 1.00 16.74 . 1 556 77 ATOM C CB LEU A 97 . 6.038 24.090 14.919 1.00 14.44 . 1 557 77 ATOM C CG LEU A 97 . 7.133 23.875 15.957 1.00 14.44 . 1 558 77 ATOM C CD1 LEU A 97 . 8.004 25.118 16.176 1.00 14.44 . 1 559 77 ATOM C CD2 LEU A 97 . 6.518 23.491 17.280 1.00 14.44 . 1 560 78 ATOM N N GLY A 98 . 7.178 26.043 12.728 1.00 18.76 . 1 561 78 ATOM C CA GLY A 98 . 8.178 27.014 12.269 1.00 18.76 . 1 562 78 ATOM C C GLY A 98 . 7.468 28.113 11.489 1.00 18.76 . 1 563 78 ATOM O O GLY A 98 . 6.240 28.286 11.610 1.00 18.76 . 1 564 79 ATOM N N ASN A 99 . 8.240 28.923 10.804 1.00 18.93 . 1 565 79 ATOM C CA ASN A 99 . 7.633 30.025 10.020 1.00 18.93 . 1 566 79 ATOM C C ASN A 99 . 8.419 30.070 8.722 1.00 18.93 . 1 567 79 ATOM O O ASN A 99 . 9.517 30.624 8.669 1.00 18.93 . 1 568 79 ATOM C CB ASN A 99 . 7.718 31.308 10.784 1.00 19.67 . 1 569 79 ATOM C CG ASN A 99 . 7.016 32.473 10.118 1.00 19.67 . 1 570 79 ATOM O OD1 ASN A 99 . 6.502 32.388 9.001 1.00 19.67 . 1 571 79 ATOM N ND2 ASN A 99 . 6.987 33.612 10.796 1.00 19.67 . 1 572 80 ATOM N N ILE A 100 . 7.917 29.468 7.663 1.00 22.08 . 1 573 80 ATOM C CA ILE A 100 . 8.621 29.435 6.385 1.00 22.08 . 1 574 80 ATOM C C ILE A 100 . 8.887 30.811 5.825 1.00 22.08 . 1 575 80 ATOM O O ILE A 100 . 9.852 30.985 5.026 1.00 22.08 . 1 576 80 ATOM C CB ILE A 100 . 7.824 28.588 5.349 1.00 20.00 . 1 577 80 ATOM C CG1 ILE A 100 . 8.699 28.192 4.145 1.00 20.00 . 1 578 80 ATOM C CG2 ILE A 100 . 6.596 29.340 4.868 1.00 20.00 . 1 579 80 ATOM C CD1 ILE A 100 . 9.961 27.382 4.503 1.00 20.00 . 1 580 81 ATOM N N LYS A 101 . 8.156 31.867 6.198 1.00 29.28 . 1 581 81 ATOM C CA LYS A 101 . 8.414 33.216 5.745 1.00 29.28 . 1 582 81 ATOM C C LYS A 101 . 9.809 33.636 6.189 1.00 29.28 . 1 583 81 ATOM O O LYS A 101 . 10.418 34.434 5.494 1.00 29.28 . 1 584 81 ATOM C CB LYS A 101 . 7.468 34.273 6.277 1.00 31.95 . 1 585 81 ATOM C CG LYS A 101 . 6.004 34.033 5.958 1.00 31.95 . 1 586 81 ATOM C CD LYS A 101 . 5.260 35.385 6.132 1.00 31.95 . 1 587 82 ATOM N N LEU A 102 . 10.371 33.145 7.253 1.00 35.39 . 1 588 82 ATOM C CA LEU A 102 . 11.710 33.497 7.675 1.00 35.39 . 1 589 82 ATOM C C LEU A 102 . 12.731 32.773 6.837 1.00 35.39 . 1 590 82 ATOM O O LEU A 102 . 13.918 33.116 6.953 1.00 35.39 . 1 591 82 ATOM C CB LEU A 102 . 11.901 33.187 9.163 1.00 32.10 . 1 592 82 ATOM C CG LEU A 102 . 11.131 34.141 10.081 1.00 32.10 . 1 593 82 ATOM C CD1 LEU A 102 . 11.213 33.701 11.529 1.00 32.10 . 1 594 82 ATOM C CD2 LEU A 102 . 11.687 35.550 9.962 1.00 32.10 . 1 595 83 ATOM N N GLN A 103 . 12.401 31.803 6.012 1.00 43.85 . 1 596 83 ATOM C CA GLN A 103 . 13.364 31.157 5.148 1.00 43.85 . 1 597 83 ATOM C C GLN A 103 . 13.273 31.806 3.752 1.00 43.85 . 1 598 83 ATOM O O GLN A 103 . 14.235 31.884 3.000 1.00 43.85 . 1 599 83 ATOM C CB GLN A 103 . 13.124 29.675 4.927 1.00 46.31 . 1 600 83 ATOM C CG GLN A 103 . 13.256 28.789 6.164 1.00 46.31 . 1 601 83 ATOM C CD GLN A 103 . 14.658 28.760 6.756 1.00 46.31 . 1 602 83 ATOM O OE1 GLN A 103 . 15.620 28.995 5.846 1.00 46.31 . 1 603 83 ATOM N NE2 GLN A 103 . 14.877 28.536 7.956 1.00 46.31 . 1 604 84 ATOM N N GLN A 104 . 12.069 32.254 3.392 1.00 50.58 . 1 605 84 ATOM C CA GLN A 104 . 11.832 32.836 2.068 1.00 50.58 . 1 606 84 ATOM C C GLN A 104 . 12.714 34.027 1.858 1.00 50.58 . 1 607 84 ATOM O O GLN A 104 . 12.669 35.018 2.591 1.00 50.58 . 1 608 84 ATOM C CB GLN A 104 . 10.331 33.172 1.926 1.00 52.63 . 1 609 84 ATOM C CG GLN A 104 . 9.469 31.904 1.888 1.00 52.63 . 1 610 84 ATOM C CD GLN A 104 . 7.979 32.117 1.857 1.00 52.63 . 1 611 84 ATOM O OE1 GLN A 104 . 7.464 33.245 1.928 1.00 52.63 . 1 612 84 ATOM N NE2 GLN A 104 . 7.168 31.036 1.762 1.00 52.63 . 1 613 92 ATOM N N PHE A 112 . 17.887 28.759 9.554 1.00 47.51 . 1 614 92 ATOM C CA PHE A 112 . 18.664 29.377 10.568 1.00 47.51 . 1 615 92 ATOM C C PHE A 112 . 18.224 30.763 10.982 1.00 47.51 . 1 616 92 ATOM O O PHE A 112 . 18.290 31.066 12.199 1.00 47.51 . 1 617 92 ATOM C CB PHE A 112 . 20.163 29.572 10.137 1.00 50.55 . 1 618 92 ATOM C CG PHE A 112 . 20.974 29.066 11.331 1.00 50.55 . 1 619 92 ATOM C CD1 PHE A 112 . 20.900 29.697 12.557 1.00 50.55 . 1 620 92 ATOM C CD2 PHE A 112 . 21.727 27.918 11.179 1.00 50.55 . 1 621 92 ATOM C CE1 PHE A 112 . 21.569 29.175 13.640 1.00 50.55 . 1 622 92 ATOM C CE2 PHE A 112 . 22.413 27.401 12.259 1.00 50.55 . 1 623 92 ATOM C CZ PHE A 112 . 22.333 28.040 13.484 1.00 50.55 . 1 624 93 ATOM N N ALA A 113 . 17.692 31.650 10.112 1.00 40.84 . 1 625 93 ATOM C CA ALA A 113 . 17.208 32.971 10.606 1.00 40.84 . 1 626 93 ATOM C C ALA A 113 . 15.879 32.757 11.361 1.00 40.84 . 1 627 93 ATOM O O ALA A 113 . 15.364 33.530 12.172 1.00 40.84 . 1 628 93 ATOM C CB ALA A 113 . 16.960 33.932 9.480 1.00 41.98 . 1 629 94 ATOM N N GLU A 114 . 15.317 31.568 11.110 1.00 30.01 . 1 630 94 ATOM C CA GLU A 114 . 14.160 31.011 11.683 1.00 30.01 . 1 631 94 ATOM C C GLU A 114 . 14.409 30.660 13.137 1.00 30.01 . 1 632 94 ATOM O O GLU A 114 . 13.445 30.522 13.898 1.00 30.01 . 1 633 94 ATOM C CB GLU A 114 . 13.760 29.723 10.934 1.00 26.48 . 1 634 94 ATOM C CG GLU A 114 . 12.269 29.496 11.000 1.00 26.48 . 1 635 94 ATOM C CD GLU A 114 . 11.794 28.301 10.232 1.00 26.48 . 1 636 94 ATOM O OE1 GLU A 114 . 12.463 27.905 9.260 1.00 26.48 . 1 637 94 ATOM O OE2 GLU A 114 . 10.748 27.743 10.613 1.00 26.48 . 1 638 95 ATOM N N LEU A 115 . 15.657 30.563 13.570 1.00 24.94 . 1 639 95 ATOM C CA LEU A 115 . 16.042 30.232 14.925 1.00 24.94 . 1 640 95 ATOM C C LEU A 115 . 15.361 31.098 15.963 1.00 24.94 . 1 641 95 ATOM O O LEU A 115 . 14.905 30.543 17.005 1.00 24.94 . 1 642 95 ATOM C CB LEU A 115 . 17.565 30.309 15.128 1.00 24.32 . 1 643 95 ATOM C CG LEU A 115 . 18.148 29.860 16.469 1.00 24.32 . 1 644 95 ATOM C CD1 LEU A 115 . 17.677 28.465 16.829 1.00 24.32 . 1 645 95 ATOM C CD2 LEU A 115 . 19.673 29.851 16.435 1.00 24.32 . 1 646 96 ATOM N N LYS A 116 . 15.201 32.411 15.787 1.00 23.59 . 1 647 96 ATOM C CA LYS A 116 . 14.524 33.259 16.772 1.00 23.59 . 1 648 96 ATOM C C LYS A 116 . 13.071 32.842 16.940 1.00 23.59 . 1 649 96 ATOM O O LYS A 116 . 12.497 32.937 18.017 1.00 23.59 . 1 650 96 ATOM C CB LYS A 116 . 14.530 34.729 16.388 1.00 31.77 . 1 651 96 ATOM C CG LYS A 116 . 13.892 35.041 15.031 1.00 31.77 . 1 652 96 ATOM C CD LYS A 116 . 13.480 36.497 14.896 1.00 31.77 . 1 653 96 ATOM C CE LYS A 116 . 13.115 36.916 13.489 1.00 31.77 . 1 654 96 ATOM N NZ LYS A 116 . 14.281 37.148 12.548 1.00 31.77 . 1 655 97 ATOM N N PHE A 117 . 12.442 32.377 15.892 1.00 19.82 . 1 656 97 ATOM C CA PHE A 117 . 11.081 31.906 15.921 1.00 19.82 . 1 657 97 ATOM C C PHE A 117 . 10.974 30.542 16.566 1.00 19.82 . 1 658 97 ATOM O O PHE A 117 . 10.405 30.392 17.649 1.00 19.82 . 1 659 97 ATOM C CB PHE A 117 . 10.502 31.796 14.468 1.00 16.68 . 1 660 97 ATOM C CG PHE A 117 . 9.037 31.408 14.493 1.00 16.68 . 1 661 97 ATOM C CD1 PHE A 117 . 8.067 32.367 14.583 1.00 16.68 . 1 662 97 ATOM C CD2 PHE A 117 . 8.661 30.089 14.453 1.00 16.68 . 1 663 97 ATOM C CE1 PHE A 117 . 6.738 32.011 14.624 1.00 16.68 . 1 664 97 ATOM C CE2 PHE A 117 . 7.334 29.731 14.530 1.00 16.68 . 1 665 97 ATOM C CZ PHE A 117 . 6.353 30.688 14.579 1.00 16.68 . 1 666 98 ATOM N N THR A 118 . 11.560 29.534 15.892 1.00 18.65 . 1 667 98 ATOM C CA THR A 118 . 11.404 28.166 16.433 1.00 18.65 . 1 668 98 ATOM C C THR A 118 . 11.940 28.003 17.831 1.00 18.65 . 1 669 98 ATOM O O THR A 118 . 11.297 27.274 18.632 1.00 18.65 . 1 670 98 ATOM C CB THR A 118 . 12.020 27.135 15.506 1.00 18.19 . 1 671 98 ATOM O OG1 THR A 118 . 13.312 27.605 15.172 1.00 18.19 . 1 672 98 ATOM C CG2 THR A 118 . 11.167 26.988 14.259 1.00 18.19 . 1 673 99 ATOM N N SER A 119 . 13.025 28.635 18.227 1.00 21.00 . 1 674 99 ATOM C CA SER A 119 . 13.564 28.499 19.588 1.00 21.00 . 1 675 99 ATOM C C SER A 119 . 12.621 29.117 20.595 1.00 21.00 . 1 676 99 ATOM O O SER A 119 . 12.573 28.649 21.761 1.00 21.00 . 1 677 99 ATOM C CB SER A 119 . 14.946 29.123 19.706 1.00 20.94 . 1 678 99 ATOM O OG SER A 119 . 14.953 30.510 19.799 1.00 20.94 . 1 679 100 ATOM N N SER A 120 . 11.828 30.102 20.189 1.00 21.90 . 1 680 100 ATOM C CA SER A 120 . 10.825 30.723 21.035 1.00 21.90 . 1 681 100 ATOM C C SER A 120 . 9.696 29.742 21.310 1.00 21.90 . 1 682 100 ATOM O O SER A 120 . 9.057 29.809 22.379 1.00 21.90 . 1 683 100 ATOM C CB SER A 120 . 10.251 31.961 20.344 1.00 20.78 . 1 684 100 ATOM O OG SER A 120 . 11.181 33.039 20.297 1.00 20.78 . 1 685 101 ATOM N N MET A 121 . 9.454 28.772 20.435 1.00 22.12 . 1 686 101 ATOM C CA MET A 121 . 8.386 27.814 20.589 1.00 22.12 . 1 687 101 ATOM C C MET A 121 . 8.707 26.547 21.361 1.00 22.12 . 1 688 101 ATOM O O MET A 121 . 7.784 25.951 21.957 1.00 22.12 . 1 689 101 ATOM C CB MET A 121 . 7.930 27.382 19.166 1.00 22.16 . 1 690 101 ATOM C CG MET A 121 . 7.444 28.557 18.340 1.00 22.16 . 1 691 101 ATOM S SD MET A 121 . 6.155 29.486 19.181 1.00 22.16 . 1 692 101 ATOM C CE MET A 121 . 5.998 30.842 18.017 1.00 22.16 . 1 693 102 ATOM N N VAL A 122 . 9.959 26.114 21.355 1.00 24.35 . 1 694 102 ATOM C CA VAL A 122 . 10.352 24.874 22.032 1.00 24.35 . 1 695 102 ATOM C C VAL A 122 . 10.075 24.809 23.527 1.00 24.35 . 1 696 102 ATOM O O VAL A 122 . 9.694 23.724 24.020 1.00 24.35 . 1 697 102 ATOM C CB VAL A 122 . 11.851 24.624 21.799 1.00 24.02 . 1 698 102 ATOM C CG1 VAL A 122 . 12.321 23.365 22.532 1.00 24.02 . 1 699 102 ATOM C CG2 VAL A 122 . 12.121 24.437 20.335 1.00 24.02 . 1 700 103 ATOM N N GLN A 123 . 10.204 25.840 24.337 1.00 26.97 . 1 701 103 ATOM C CA GLN A 123 . 9.926 25.733 25.753 1.00 26.97 . 1 702 103 ATOM C C GLN A 123 . 8.490 25.283 25.986 1.00 26.97 . 1 703 103 ATOM O O GLN A 123 . 8.326 24.262 26.677 1.00 26.97 . 1 704 103 ATOM C CB GLN A 123 . 10.099 27.036 26.515 1.00 37.17 . 1 705 103 ATOM C CG GLN A 123 . 9.798 26.779 28.032 1.00 37.17 . 1 706 103 ATOM C CD GLN A 123 . 11.070 26.258 28.709 1.00 37.17 . 1 707 103 ATOM O OE1 GLN A 123 . 11.208 25.130 29.239 1.00 37.17 . 1 708 103 ATOM N NE2 GLN A 123 . 12.067 27.177 28.696 1.00 37.17 . 1 709 104 ATOM N N SER A 124 . 7.506 25.990 25.443 1.00 23.99 . 1 710 104 ATOM C CA SER A 124 . 6.105 25.600 25.693 1.00 23.99 . 1 711 104 ATOM C C SER A 124 . 5.709 24.292 25.023 1.00 23.99 . 1 712 104 ATOM O O SER A 124 . 5.029 23.471 25.635 1.00 23.99 . 1 713 104 ATOM C CB SER A 124 . 5.159 26.721 25.247 1.00 24.17 . 1 714 104 ATOM O OG SER A 124 . 5.252 26.914 23.839 1.00 24.17 . 1 715 105 ATOM N N VAL A 125 . 6.117 24.074 23.789 1.00 21.26 . 1 716 105 ATOM C CA VAL A 125 . 5.801 22.826 23.092 1.00 21.26 . 1 717 105 ATOM C C VAL A 125 . 6.474 21.674 23.830 1.00 21.26 . 1 718 105 ATOM O O VAL A 125 . 5.859 20.631 24.059 1.00 21.26 . 1 719 105 ATOM C CB VAL A 125 . 6.254 22.856 21.633 1.00 20.01 . 1 720 105 ATOM C CG1 VAL A 125 . 6.017 21.499 20.971 1.00 20.01 . 1 721 105 ATOM C CG2 VAL A 125 . 5.512 23.931 20.869 1.00 20.01 . 1 722 106 ATOM N N GLY A 126 . 7.741 21.855 24.194 1.00 21.38 . 1 723 106 ATOM C CA GLY A 126 . 8.495 20.859 24.919 1.00 21.38 . 1 724 106 ATOM C C GLY A 126 . 7.873 20.523 26.275 1.00 21.38 . 1 725 106 ATOM O O GLY A 126 . 7.759 19.335 26.626 1.00 21.38 . 1 726 107 ATOM N N THR A 127 . 7.474 21.528 27.039 1.00 20.76 . 1 727 107 ATOM C CA THR A 127 . 6.877 21.271 28.334 1.00 20.76 . 1 728 107 ATOM C C THR A 127 . 5.556 20.565 28.183 1.00 20.76 . 1 729 107 ATOM O O THR A 127 . 5.308 19.602 28.944 1.00 20.76 . 1 730 107 ATOM C CB THR A 127 . 6.674 22.596 29.091 1.00 21.34 . 1 731 107 ATOM O OG1 THR A 127 . 7.966 23.222 29.110 1.00 21.34 . 1 732 107 ATOM C CG2 THR A 127 . 6.178 22.386 30.494 1.00 21.34 . 1 733 108 ATOM N N ASN A 128 . 4.684 20.928 27.279 1.00 20.62 . 1 734 108 ATOM C CA ASN A 128 . 3.403 20.244 27.093 1.00 20.62 . 1 735 108 ATOM C C ASN A 128 . 3.627 18.791 26.685 1.00 20.62 . 1 736 108 ATOM O O ASN A 128 . 2.924 17.867 27.097 1.00 20.62 . 1 737 108 ATOM C CB ASN A 128 . 2.584 20.951 26.008 1.00 21.93 . 1 738 108 ATOM C CG ASN A 128 . 2.068 22.322 26.430 1.00 21.93 . 1 739 108 ATOM O OD1 ASN A 128 . 1.662 22.503 27.586 1.00 21.93 . 1 740 108 ATOM N ND2 ASN A 128 . 2.095 23.309 25.530 1.00 21.93 . 1 741 109 ATOM N N LEU A 129 . 4.640 18.565 25.855 1.00 21.44 . 1 742 109 ATOM C CA LEU A 129 . 4.999 17.241 25.375 1.00 21.44 . 1 743 109 ATOM C C LEU A 129 . 5.432 16.356 26.539 1.00 21.44 . 1 744 109 ATOM O O LEU A 129 . 4.903 15.243 26.667 1.00 21.44 . 1 745 109 ATOM C CB LEU A 129 . 6.067 17.345 24.273 1.00 20.82 . 1 746 109 ATOM C CG LEU A 129 . 6.243 16.116 23.376 1.00 20.82 . 1 747 109 ATOM C CD1 LEU A 129 . 4.923 15.681 22.737 1.00 20.82 . 1 748 109 ATOM C CD2 LEU A 129 . 7.288 16.358 22.300 1.00 20.82 . 1 749 110 ATOM N N LYS A 130 . 6.293 16.841 27.396 1.00 24.55 . 1 750 110 ATOM C CA LYS A 130 . 6.737 16.132 28.576 1.00 24.55 . 1 751 110 ATOM C C LYS A 130 . 5.565 15.842 29.522 1.00 24.55 . 1 752 110 ATOM O O LYS A 130 . 5.301 14.725 29.977 1.00 24.55 . 1 753 110 ATOM C CB LYS A 130 . 7.743 16.992 29.303 1.00 29.68 . 1 754 110 ATOM C CG LYS A 130 . 8.391 16.318 30.494 1.00 29.68 . 1 755 110 ATOM C CD LYS A 130 . 8.636 17.373 31.564 1.00 29.68 . 1 756 110 ATOM C CE LYS A 130 . 9.691 18.391 31.165 1.00 29.68 . 1 757 110 ATOM N NZ LYS A 130 . 9.518 19.655 31.997 1.00 29.68 . 1 758 111 ATOM N N GLU A 131 . 4.761 16.861 29.806 1.00 25.30 . 1 759 111 ATOM C CA GLU A 131 . 3.598 16.743 30.646 1.00 25.30 . 1 760 111 ATOM C C GLU A 131 . 2.524 15.861 30.102 1.00 25.30 . 1 761 111 ATOM O O GLU A 131 . 1.733 15.329 30.907 1.00 25.30 . 1 762 111 ATOM C CB GLU A 131 . 2.990 18.133 30.871 1.00 30.04 . 1 763 111 ATOM C CG GLU A 131 . 3.864 19.119 31.612 1.00 30.04 . 1 764 111 ATOM C CD GLU A 131 . 4.107 18.750 33.059 1.00 30.04 . 1 765 111 ATOM O OE1 GLU A 131 . 3.348 17.914 33.617 1.00 30.04 . 1 766 111 ATOM O OE2 GLU A 131 . 5.062 19.300 33.663 1.00 30.04 . 1 767 112 ATOM N N SER A 132 . 2.396 15.570 28.815 1.00 21.06 . 1 768 112 ATOM C CA SER A 132 . 1.336 14.739 28.307 1.00 21.06 . 1 769 112 ATOM C C SER A 132 . 1.510 13.279 28.639 1.00 21.06 . 1 770 112 ATOM O O SER A 132 . 0.540 12.532 28.435 1.00 21.06 . 1 771 112 ATOM C CB SER A 132 . 1.242 14.778 26.757 1.00 19.69 . 1 772 112 ATOM O OG SER A 132 . 2.453 14.248 26.238 1.00 19.69 . 1 773 113 ATOM N N GLY A 133 . 2.723 12.873 29.019 1.00 18.32 . 1 774 113 ATOM C CA GLY A 133 . 2.987 11.491 29.340 1.00 18.32 . 1 775 113 ATOM C C GLY A 133 . 3.550 10.724 28.165 1.00 18.32 . 1 776 113 ATOM O O GLY A 133 . 3.722 9.496 28.203 1.00 18.32 . 1 777 114 ATOM N N PHE A 134 . 3.824 11.462 27.089 1.00 15.79 . 1 778 114 ATOM C CA PHE A 134 . 4.372 10.885 25.868 1.00 15.79 . 1 779 114 ATOM C C PHE A 134 . 5.709 10.231 26.173 1.00 15.79 . 1 780 114 ATOM O O PHE A 134 . 6.525 10.857 26.864 1.00 15.79 . 1 781 114 ATOM C CB PHE A 134 . 4.552 11.992 24.830 1.00 8.99 . 1 782 114 ATOM C CG PHE A 134 . 5.330 11.574 23.622 1.00 8.99 . 1 783 114 ATOM C CD1 PHE A 134 . 4.787 10.693 22.725 1.00 8.99 . 1 784 114 ATOM C CD2 PHE A 134 . 6.604 12.096 23.423 1.00 8.99 . 1 785 114 ATOM C CE1 PHE A 134 . 5.543 10.295 21.625 1.00 8.99 . 1 786 114 ATOM C CE2 PHE A 134 . 7.332 11.731 22.288 1.00 8.99 . 1 787 114 ATOM C CZ PHE A 134 . 6.773 10.840 21.425 1.00 8.99 . 1 788 115 ATOM N N HIS A 135 . 5.956 9.052 25.625 1.00 17.99 . 1 789 115 ATOM C CA HIS A 135 . 7.252 8.424 25.911 1.00 17.99 . 1 790 115 ATOM C C HIS A 135 . 7.743 7.686 24.691 1.00 17.99 . 1 791 115 ATOM O O HIS A 135 . 8.492 6.721 24.861 1.00 17.99 . 1 792 115 ATOM C CB HIS A 135 . 7.150 7.471 27.126 1.00 21.87 . 1 793 115 ATOM C CG HIS A 135 . 5.951 6.582 27.065 1.00 21.87 . 1 794 115 ATOM N ND1 HIS A 135 . 4.711 6.964 27.546 1.00 21.87 . 1 795 115 ATOM C CD2 HIS A 135 . 5.783 5.332 26.566 1.00 21.87 . 1 796 115 ATOM C CE1 HIS A 135 . 3.839 5.988 27.348 1.00 21.87 . 1 797 115 ATOM N NE2 HIS A 135 . 4.457 4.983 26.748 1.00 21.87 . 1 798 116 ATOM N N GLY A 136 . 7.309 8.098 23.512 1.00 15.57 . 1 799 116 ATOM C CA GLY A 136 . 7.748 7.431 22.278 1.00 15.57 . 1 800 116 ATOM C C GLY A 136 . 8.946 8.179 21.745 1.00 15.57 . 1 801 116 ATOM O O GLY A 136 . 9.595 8.878 22.524 1.00 15.57 . 1 802 117 ATOM N N VAL A 137 . 9.143 8.135 20.433 1.00 14.35 . 1 803 117 ATOM C CA VAL A 137 . 10.261 8.856 19.797 1.00 14.35 . 1 804 117 ATOM C C VAL A 137 . 9.781 10.169 19.199 1.00 14.35 . 1 805 117 ATOM O O VAL A 137 . 8.720 10.250 18.599 1.00 14.35 . 1 806 117 ATOM C CB VAL A 137 . 10.932 7.993 18.714 1.00 12.98 . 1 807 117 ATOM C CG1 VAL A 137 . 12.078 8.667 18.003 1.00 12.98 . 1 808 117 ATOM C CG2 VAL A 137 . 11.516 6.737 19.416 1.00 12.98 . 1 809 118 ATOM N N LEU A 138 . 10.578 11.216 19.397 1.00 14.34 . 1 810 118 ATOM C CA LEU A 138 . 10.292 12.542 18.879 1.00 14.34 . 1 811 118 ATOM C C LEU A 138 . 11.162 12.808 17.665 1.00 14.34 . 1 812 118 ATOM O O LEU A 138 . 12.392 12.715 17.755 1.00 14.34 . 1 813 118 ATOM C CB LEU A 138 . 10.578 13.609 19.940 1.00 15.22 . 1 814 118 ATOM C CG LEU A 138 . 10.393 15.080 19.554 1.00 15.22 . 1 815 118 ATOM C CD1 LEU A 138 . 8.936 15.373 19.300 1.00 15.22 . 1 816 118 ATOM C CD2 LEU A 138 . 10.882 16.030 20.632 1.00 15.22 . 1 817 119 ATOM N N VAL A 139 . 10.531 13.088 16.509 1.00 14.58 . 1 818 119 ATOM C CA VAL A 139 . 11.259 13.365 15.282 1.00 14.58 . 1 819 119 ATOM C C VAL A 139 . 11.088 14.829 14.945 1.00 14.58 . 1 820 119 ATOM O O VAL A 139 . 9.967 15.316 14.749 1.00 14.58 . 1 821 119 ATOM C CB VAL A 139 . 10.742 12.497 14.136 1.00 14.13 . 1 822 119 ATOM C CG1 VAL A 139 . 11.593 12.682 12.883 1.00 14.13 . 1 823 119 ATOM C CG2 VAL A 139 . 10.724 11.021 14.531 1.00 14.13 . 1 824 120 ATOM N N VAL A 140 . 12.163 15.607 14.916 1.00 16.38 . 1 825 120 ATOM C CA VAL A 140 . 12.146 17.034 14.672 1.00 16.38 . 1 826 120 ATOM C C VAL A 140 . 12.501 17.373 13.242 1.00 16.38 . 1 827 120 ATOM O O VAL A 140 . 13.424 16.808 12.664 1.00 16.38 . 1 828 120 ATOM C CB VAL A 140 . 13.144 17.749 15.605 1.00 15.61 . 1 829 120 ATOM C CG1 VAL A 140 . 13.151 19.232 15.462 1.00 15.61 . 1 830 120 ATOM C CG2 VAL A 140 . 12.816 17.389 17.089 1.00 15.61 . 1 831 121 ATOM N N ILE A 141 . 11.732 18.287 12.658 1.00 15.41 . 1 832 121 ATOM C CA ILE A 141 . 11.951 18.769 11.293 1.00 15.41 . 1 833 121 ATOM C C ILE A 141 . 12.242 20.271 11.362 1.00 15.41 . 1 834 121 ATOM O O ILE A 141 . 13.065 20.751 10.597 1.00 15.41 . 1 835 121 ATOM C CB ILE A 141 . 10.738 18.513 10.400 1.00 14.83 . 1 836 121 ATOM C CG1 ILE A 141 . 10.659 17.041 10.026 1.00 14.83 . 1 837 121 ATOM C CG2 ILE A 141 . 10.802 19.330 9.099 1.00 14.83 . 1 838 121 ATOM C CD1 ILE A 141 . 9.609 16.658 9.031 1.00 14.83 . 1 839 122 ATOM N N SER A 142 . 11.613 20.957 12.314 1.00 14.74 . 1 840 122 ATOM C CA SER A 142 . 11.769 22.397 12.501 1.00 14.74 . 1 841 122 ATOM C C SER A 142 . 13.201 22.859 12.330 1.00 14.74 . 1 842 122 ATOM O O SER A 142 . 14.068 22.233 12.947 1.00 14.74 . 1 843 122 ATOM C CB SER A 142 . 11.274 22.755 13.926 1.00 14.02 . 1 844 122 ATOM O OG SER A 142 . 9.938 22.292 14.064 1.00 14.02 . 1 845 123 ATOM N N ASN A 143 . 13.471 23.911 11.522 1.00 16.44 . 1 846 123 ATOM C CA ASN A 143 . 14.829 24.401 11.307 1.00 16.44 . 1 847 123 ATOM C C ASN A 143 . 15.201 25.521 12.261 1.00 16.44 . 1 848 123 ATOM O O ASN A 143 . 14.352 26.265 12.773 1.00 16.44 . 1 849 123 ATOM C CB ASN A 143 . 14.980 24.936 9.885 1.00 17.52 . 1 850 123 ATOM C CG ASN A 143 . 15.387 23.877 8.917 1.00 17.52 . 1 851 123 ATOM O OD1 ASN A 143 . 16.029 22.907 9.297 1.00 17.52 . 1 852 123 ATOM N ND2 ASN A 143 . 15.036 24.047 7.654 1.00 17.52 . 1 853 124 ATOM N N PRO A 144 . 16.504 25.656 12.561 1.00 18.63 1 1 854 124 ATOM C CA PRO A 144 . 17.584 24.800 12.125 1.00 18.63 1 1 855 124 ATOM C C PRO A 144 . 17.519 23.456 12.857 1.00 18.63 1 1 856 124 ATOM O O PRO A 144 . 17.755 23.390 14.077 1.00 18.63 1 1 857 124 ATOM C CB PRO A 144 . 18.867 25.568 12.462 1.00 17.49 1 1 858 124 ATOM C CG PRO A 144 . 18.461 26.471 13.577 1.00 17.49 1 1 859 124 ATOM C CD PRO A 144 . 16.973 26.695 13.498 1.00 17.49 1 1 860 125 ATOM N N VAL A 145 . 17.193 22.389 12.145 1.00 19.51 . 1 861 125 ATOM C CA VAL A 145 . 17.000 21.039 12.679 1.00 19.51 . 1 862 125 ATOM C C VAL A 145 . 18.002 20.587 13.686 1.00 19.51 . 1 863 125 ATOM O O VAL A 145 . 17.585 20.160 14.824 1.00 19.51 . 1 864 125 ATOM C CB VAL A 145 . 16.884 20.085 11.463 1.00 18.63 . 1 865 125 ATOM C CG1 VAL A 145 . 18.193 19.754 10.830 1.00 18.63 . 1 866 125 ATOM C CG2 VAL A 145 . 16.161 18.831 11.954 1.00 18.63 . 1 867 126 ATOM N N ASP A 146 . 19.295 20.664 13.503 1.00 18.93 . 1 868 126 ATOM C CA ASP A 146 . 20.221 20.205 14.558 1.00 18.93 . 1 869 126 ATOM C C ASP A 146 . 20.065 20.970 15.833 1.00 18.93 . 1 870 126 ATOM O O ASP A 146 . 19.954 20.319 16.869 1.00 18.93 . 1 871 126 ATOM C CB ASP A 146 . 21.673 20.302 14.061 1.00 18.80 . 1 872 126 ATOM C CG ASP A 146 . 21.817 19.444 12.852 1.00 18.80 . 1 873 126 ATOM O OD1 ASP A 146 . 21.775 18.200 12.931 1.00 18.80 . 1 874 126 ATOM O OD2 ASP A 146 . 21.895 20.010 11.731 1.00 18.80 . 1 875 127 ATOM N N VAL A 147 . 20.038 22.281 15.823 1.00 18.73 . 1 876 127 ATOM C CA VAL A 147 . 19.909 23.056 17.054 1.00 18.73 . 1 877 127 ATOM C C VAL A 147 . 18.541 22.855 17.680 1.00 18.73 . 1 878 127 ATOM O O VAL A 147 . 18.509 22.661 18.923 1.00 18.73 . 1 879 127 ATOM C CB VAL A 147 . 20.122 24.548 16.822 1.00 18.20 . 1 880 127 ATOM C CG1 VAL A 147 . 20.051 25.364 18.110 1.00 18.20 . 1 881 127 ATOM C CG2 VAL A 147 . 21.498 24.752 16.217 1.00 18.20 . 1 882 128 ATOM N N ILE A 148 . 17.467 22.846 16.938 1.00 18.26 . 1 883 128 ATOM C CA ILE A 148 . 16.144 22.632 17.556 1.00 18.26 . 1 884 128 ATOM C C ILE A 148 . 15.998 21.252 18.111 1.00 18.26 . 1 885 128 ATOM O O ILE A 148 . 15.385 21.064 19.164 1.00 18.26 . 1 886 128 ATOM C CB ILE A 148 . 15.012 22.909 16.537 1.00 16.19 . 1 887 128 ATOM C CG1 ILE A 148 . 15.121 24.361 16.043 1.00 16.19 . 1 888 128 ATOM C CG2 ILE A 148 . 13.655 22.711 17.144 1.00 16.19 . 1 889 128 ATOM C CD1 ILE A 148 . 15.134 25.398 17.163 1.00 16.19 . 1 890 129 ATOM N N THR A 149 . 16.587 20.244 17.452 1.00 18.58 . 1 891 129 ATOM C CA THR A 149 . 16.533 18.889 18.027 1.00 18.58 . 1 892 129 ATOM C C THR A 149 . 17.173 18.926 19.404 1.00 18.58 . 1 893 129 ATOM O O THR A 149 . 16.619 18.409 20.410 1.00 18.58 . 1 894 129 ATOM C CB THR A 149 . 17.232 17.886 17.104 1.00 17.23 . 1 895 129 ATOM O OG1 THR A 149 . 16.593 17.916 15.835 1.00 17.23 . 1 896 129 ATOM C CG2 THR A 149 . 17.123 16.460 17.590 1.00 17.23 . 1 897 130 ATOM N N ALA A 150 . 18.342 19.521 19.558 1.00 19.52 . 1 898 130 ATOM C CA ALA A 150 . 19.043 19.624 20.825 1.00 19.52 . 1 899 130 ATOM C C ALA A 150 . 18.254 20.383 21.863 1.00 19.52 . 1 900 130 ATOM O O ALA A 150 . 18.171 19.909 23.027 1.00 19.52 . 1 901 130 ATOM C CB ALA A 150 . 20.360 20.330 20.574 1.00 17.81 . 1 902 131 ATOM N N LEU A 151 . 17.627 21.499 21.540 1.00 21.08 . 1 903 131 ATOM C CA LEU A 151 . 16.856 22.232 22.546 1.00 21.08 . 1 904 131 ATOM C C LEU A 151 . 15.631 21.452 22.973 1.00 21.08 . 1 905 131 ATOM O O LEU A 151 . 15.231 21.554 24.133 1.00 21.08 . 1 906 131 ATOM C CB LEU A 151 . 16.397 23.600 22.063 1.00 21.39 . 1 907 131 ATOM C CG LEU A 151 . 17.477 24.635 21.766 1.00 21.39 . 1 908 131 ATOM C CD1 LEU A 151 . 16.869 25.805 21.010 1.00 21.39 . 1 909 131 ATOM C CD2 LEU A 151 . 18.153 25.165 23.024 1.00 21.39 . 1 910 132 ATOM N N PHE A 152 . 15.041 20.667 22.085 1.00 21.88 . 1 911 132 ATOM C CA PHE A 152 . 13.891 19.848 22.433 1.00 21.88 . 1 912 132 ATOM C C PHE A 152 . 14.347 18.808 23.449 1.00 21.88 . 1 913 132 ATOM O O PHE A 152 . 13.717 18.661 24.475 1.00 21.88 . 1 914 132 ATOM C CB PHE A 152 . 13.280 19.119 21.231 1.00 21.44 . 1 915 132 ATOM C CG PHE A 152 . 12.017 19.750 20.705 1.00 21.44 . 1 916 132 ATOM C CD1 PHE A 152 . 10.910 19.902 21.505 1.00 21.44 . 1 917 132 ATOM C CD2 PHE A 152 . 11.937 20.212 19.379 1.00 21.44 . 1 918 132 ATOM C CE1 PHE A 152 . 9.752 20.473 21.017 1.00 21.44 . 1 919 132 ATOM C CE2 PHE A 152 . 10.790 20.786 18.877 1.00 21.44 . 1 920 132 ATOM C CZ PHE A 152 . 9.683 20.910 19.702 1.00 21.44 . 1 921 133 ATOM N N GLN A 153 . 15.491 18.170 23.161 1.00 23.32 . 1 922 133 ATOM C CA GLN A 153 . 16.023 17.170 24.117 1.00 23.32 . 1 923 133 ATOM C C GLN A 153 . 16.236 17.836 25.457 1.00 23.32 . 1 924 133 ATOM O O GLN A 153 . 15.885 17.298 26.520 1.00 23.32 . 1 925 133 ATOM C CB GLN A 153 . 17.273 16.536 23.577 1.00 23.27 . 1 926 133 ATOM C CG GLN A 153 . 17.759 15.245 24.238 1.00 23.27 . 1 927 133 ATOM C CD GLN A 153 . 18.517 15.548 25.525 1.00 23.27 . 1 928 133 ATOM O OE1 GLN A 153 . 19.440 16.375 25.530 1.00 23.27 . 1 929 133 ATOM N NE2 GLN A 153 . 18.128 14.900 26.619 1.00 23.27 . 1 930 134 ATOM N N HIS A 154 . 16.788 19.031 25.450 1.00 25.64 . 1 931 134 ATOM C CA HIS A 154 . 17.057 19.818 26.641 1.00 25.64 . 1 932 134 ATOM C C HIS A 154 . 15.823 20.223 27.413 1.00 25.64 . 1 933 134 ATOM O O HIS A 154 . 15.833 20.182 28.683 1.00 25.64 . 1 934 134 ATOM C CB HIS A 154 . 17.837 21.084 26.156 1.00 26.92 . 1 935 134 ATOM C CG HIS A 154 . 18.208 21.967 27.310 1.00 26.92 . 1 936 134 ATOM N ND1 HIS A 154 . 19.323 21.713 28.091 1.00 26.92 . 1 937 134 ATOM C CD2 HIS A 154 . 17.618 23.051 27.836 1.00 26.92 . 1 938 134 ATOM C CE1 HIS A 154 . 19.407 22.603 29.048 1.00 26.92 . 1 939 134 ATOM N NE2 HIS A 154 . 18.381 23.428 28.929 1.00 26.92 . 1 940 135 ATOM N N VAL A 155 . 14.731 20.657 26.812 1.00 25.75 . 1 941 135 ATOM C CA VAL A 155 . 13.516 21.071 27.515 1.00 25.75 . 1 942 135 ATOM C C VAL A 155 . 12.690 19.889 27.967 1.00 25.75 . 1 943 135 ATOM O O VAL A 155 . 12.184 19.882 29.084 1.00 25.75 . 1 944 135 ATOM C CB VAL A 155 . 12.658 21.982 26.596 1.00 24.83 . 1 945 135 ATOM C CG1 VAL A 155 . 11.360 22.442 27.211 1.00 24.83 . 1 946 135 ATOM C CG2 VAL A 155 . 13.495 23.214 26.257 1.00 24.83 . 1 947 136 ATOM N N THR A 156 . 12.523 18.879 27.119 1.00 25.96 . 1 948 136 ATOM C CA THR A 156 . 11.674 17.745 27.504 1.00 25.96 . 1 949 136 ATOM C C THR A 156 . 12.322 16.893 28.538 1.00 25.96 . 1 950 136 ATOM O O THR A 156 . 11.643 16.242 29.348 1.00 25.96 . 1 951 136 ATOM C CB THR A 156 . 11.344 16.845 26.287 1.00 24.43 . 1 952 136 ATOM O OG1 THR A 156 . 12.573 16.344 25.775 1.00 24.43 . 1 953 136 ATOM C CG2 THR A 156 . 10.602 17.673 25.230 1.00 24.43 . 1 954 137 ATOM N N GLY A 157 . 13.652 16.781 28.460 1.00 24.40 . 1 955 137 ATOM C CA GLY A 157 . 14.366 15.914 29.388 1.00 24.40 . 1 956 137 ATOM C C GLY A 157 . 14.312 14.471 28.938 1.00 24.40 . 1 957 137 ATOM O O GLY A 157 . 14.747 13.581 29.688 1.00 24.40 . 1 958 138 ATOM N N PHE A 158 . 13.806 14.199 27.744 1.00 22.34 . 1 959 138 ATOM C CA PHE A 158 . 13.739 12.828 27.228 1.00 22.34 . 1 960 138 ATOM C C PHE A 158 . 15.158 12.353 26.971 1.00 22.34 . 1 961 138 ATOM O O PHE A 158 . 16.065 13.146 26.687 1.00 22.34 . 1 962 138 ATOM C CB PHE A 158 . 12.921 12.789 25.951 1.00 21.59 . 1 963 138 ATOM C CG PHE A 158 . 11.470 13.174 26.074 1.00 21.59 . 1 964 138 ATOM C CD1 PHE A 158 . 10.805 13.093 27.271 1.00 21.59 . 1 965 138 ATOM C CD2 PHE A 158 . 10.749 13.577 24.962 1.00 21.59 . 1 966 138 ATOM C CE1 PHE A 158 . 9.462 13.434 27.385 1.00 21.59 . 1 967 138 ATOM C CE2 PHE A 158 . 9.420 13.900 25.039 1.00 21.59 . 1 968 138 ATOM C CZ PHE A 158 . 8.755 13.842 26.259 1.00 21.59 . 1 969 139 ATOM N N PRO A 159 . 15.381 11.061 27.021 1.00 21.79 . 1 970 139 ATOM C CA PRO A 159 . 16.719 10.547 26.735 1.00 21.79 . 1 971 139 ATOM C C PRO A 159 . 17.090 10.976 25.349 1.00 21.79 . 1 972 139 ATOM O O PRO A 159 . 16.258 10.873 24.434 1.00 21.79 . 1 973 139 ATOM C CB PRO A 159 . 16.645 9.053 26.943 1.00 21.43 . 1 974 139 ATOM C CG PRO A 159 . 15.213 8.769 27.244 1.00 21.43 . 1 975 139 ATOM C CD PRO A 159 . 14.415 10.030 27.339 1.00 21.43 . 1 976 140 ATOM N N ALA A 160 . 18.333 11.361 25.097 1.00 20.80 . 1 977 140 ATOM C CA ALA A 160 . 18.797 11.779 23.780 1.00 20.80 . 1 978 140 ATOM C C ALA A 160 . 18.540 10.760 22.698 1.00 20.80 . 1 979 140 ATOM O O ALA A 160 . 18.346 11.155 21.529 1.00 20.80 . 1 980 140 ATOM C CB ALA A 160 . 20.281 12.070 23.871 1.00 20.60 . 1 981 141 ATOM N N HIS A 161 . 18.460 9.466 22.968 1.00 19.97 . 1 982 141 ATOM C CA HIS A 161 . 18.171 8.477 21.918 1.00 19.97 . 1 983 141 ATOM C C HIS A 161 . 16.710 8.441 21.528 1.00 19.97 . 1 984 141 ATOM O O HIS A 161 . 16.345 7.735 20.580 1.00 19.97 . 1 985 141 ATOM C CB HIS A 161 . 18.620 7.082 22.365 1.00 18.88 . 1 986 141 ATOM C CG HIS A 161 . 17.942 6.531 23.572 1.00 18.88 . 1 987 141 ATOM N ND1 HIS A 161 . 16.882 5.654 23.471 1.00 18.88 . 1 988 141 ATOM C CD2 HIS A 161 . 18.165 6.711 24.889 1.00 18.88 . 1 989 141 ATOM C CE1 HIS A 161 . 16.485 5.321 24.709 1.00 18.88 . 1 990 141 ATOM N NE2 HIS A 161 . 17.232 5.968 25.571 1.00 18.88 . 1 991 142 ATOM N N LYS A 162 . 15.840 9.127 22.264 1.00 19.24 . 1 992 142 ATOM C CA LYS A 162 . 14.446 9.210 21.921 1.00 19.24 . 1 993 142 ATOM C C LYS A 162 . 14.109 10.489 21.147 1.00 19.24 . 1 994 142 ATOM O O LYS A 162 . 12.962 10.698 20.760 1.00 19.24 . 1 995 142 ATOM C CB LYS A 162 . 13.610 9.265 23.192 1.00 21.69 . 1 996 142 ATOM C CG LYS A 162 . 13.693 7.989 24.000 1.00 21.69 . 1 997 142 ATOM C CD LYS A 162 . 12.729 6.934 23.552 1.00 21.69 . 1 998 142 ATOM C CE LYS A 162 . 11.979 6.358 24.764 1.00 21.69 . 1 999 142 ATOM N NZ LYS A 162 . 11.154 5.184 24.217 1.00 21.69 . 1 1000 143 ATOM N N VAL A 163 . 15.051 11.406 21.000 1.00 17.20 . 1 1001 143 ATOM C CA VAL A 163 . 14.887 12.659 20.313 1.00 17.20 . 1 1002 143 ATOM C C VAL A 163 . 15.866 12.775 19.166 1.00 17.20 . 1 1003 143 ATOM O O VAL A 163 . 17.075 12.946 19.377 1.00 17.20 . 1 1004 143 ATOM C CB VAL A 163 . 15.175 13.866 21.236 1.00 15.42 . 1 1005 143 ATOM C CG1 VAL A 163 . 14.873 15.158 20.482 1.00 15.42 . 1 1006 143 ATOM C CG2 VAL A 163 . 14.324 13.805 22.467 1.00 15.42 . 1 1007 144 ATOM N N ILE A 164 . 15.359 12.684 17.934 1.00 16.62 . 1 1008 144 ATOM C CA ILE A 164 . 16.192 12.750 16.743 1.00 16.62 . 1 1009 144 ATOM C C ILE A 164 . 15.629 13.735 15.708 1.00 16.62 . 1 1010 144 ATOM O O ILE A 164 . 14.500 14.191 15.818 1.00 16.62 . 1 1011 144 ATOM C CB ILE A 164 . 16.313 11.367 16.074 1.00 17.07 . 1 1012 144 ATOM C CG1 ILE A 164 . 14.906 10.776 15.918 1.00 17.07 . 1 1013 144 ATOM C CG2 ILE A 164 . 17.166 10.406 16.867 1.00 17.07 . 1 1014 144 ATOM C CD1 ILE A 164 . 14.955 9.472 15.106 1.00 17.07 . 1 1015 145 ATOM N N GLY A 165 . 16.439 14.082 14.720 1.00 15.16 . 1 1016 145 ATOM C CA GLY A 165 . 16.022 15.024 13.679 1.00 15.16 . 1 1017 145 ATOM C C GLY A 165 . 16.206 14.458 12.309 1.00 15.16 . 1 1018 145 ATOM O O GLY A 165 . 17.087 13.620 12.093 1.00 15.16 . 1 1019 146 ATOM N N THR A 166 . 15.428 14.906 11.315 1.00 14.48 . 1 1020 146 ATOM C CA THR A 166 . 15.615 14.397 9.942 1.00 14.48 . 1 1021 146 ATOM C C THR A 166 . 17.031 14.701 9.470 1.00 14.48 . 1 1022 146 ATOM O O THR A 166 . 17.599 13.949 8.657 1.00 14.48 . 1 1023 146 ATOM C CB THR A 166 . 14.604 14.998 8.971 1.00 13.28 . 1 1024 146 ATOM O OG1 THR A 166 . 14.565 16.417 9.161 1.00 13.28 . 1 1025 146 ATOM C CG2 THR A 166 . 13.208 14.423 9.234 1.00 13.28 . 1 1026 147 ATOM N N GLY A 167 . 17.588 15.820 9.891 1.00 16.09 . 1 1027 147 ATOM C CA GLY A 167 . 18.945 16.232 9.555 1.00 16.09 . 1 1028 147 ATOM C C GLY A 167 . 19.325 16.018 8.133 1.00 16.09 . 1 1029 147 ATOM O O GLY A 167 . 18.556 16.460 7.255 1.00 16.09 . 1 1030 148 ATOM N N THR A 168 . 20.430 15.353 7.795 1.00 16.82 . 1 1031 148 ATOM C CA THR A 168 . 20.798 15.228 6.382 1.00 16.82 . 1 1032 148 ATOM C C THR A 168 . 20.209 14.035 5.705 1.00 16.82 . 1 1033 148 ATOM O O THR A 168 . 20.705 13.637 4.620 1.00 16.82 . 1 1034 148 ATOM C CB THR A 168 . 22.326 15.186 6.210 1.00 15.86 . 1 1035 148 ATOM O OG1 THR A 168 . 22.806 14.088 6.955 1.00 15.86 . 1 1036 148 ATOM C CG2 THR A 168 . 22.959 16.461 6.744 1.00 15.86 . 1 1037 149 ATOM N N LEU A 169 . 19.090 13.490 6.165 1.00 17.11 . 1 1038 149 ATOM C CA LEU A 169 . 18.444 12.381 5.425 1.00 17.11 . 1 1039 149 ATOM C C LEU A 169 . 17.881 12.996 4.137 1.00 17.11 . 1 1040 149 ATOM O O LEU A 169 . 17.789 12.291 3.141 1.00 17.11 . 1 1041 149 ATOM C CB LEU A 169 . 17.374 11.679 6.241 1.00 14.41 . 1 1042 149 ATOM C CG LEU A 169 . 16.645 10.447 5.669 1.00 14.41 . 1 1043 149 ATOM C CD1 LEU A 169 . 17.624 9.347 5.284 1.00 14.41 . 1 1044 149 ATOM C CD2 LEU A 169 . 15.652 9.895 6.662 1.00 14.41 . 1 1045 150 ATOM N N LEU A 170 . 17.485 14.270 4.168 1.00 17.73 . 1 1046 150 ATOM C CA LEU A 170 . 16.964 14.974 3.028 1.00 17.73 . 1 1047 150 ATOM C C LEU A 170 . 18.114 15.333 2.098 1.00 17.73 . 1 1048 150 ATOM O O LEU A 170 . 18.076 15.016 0.908 1.00 17.73 . 1 1049 150 ATOM C CB LEU A 170 . 16.250 16.255 3.450 1.00 17.39 . 1 1050 150 ATOM C CG LEU A 170 . 15.789 17.213 2.334 1.00 17.39 . 1 1051 150 ATOM C CD1 LEU A 170 . 14.854 16.493 1.356 1.00 17.39 . 1 1052 150 ATOM C CD2 LEU A 170 . 15.116 18.413 2.934 1.00 17.39 . 1 1053 151 ATOM N N ASP A 171 . 19.180 15.892 2.672 1.00 18.59 . 1 1054 151 ATOM C CA ASP A 171 . 20.379 16.230 1.915 1.00 18.59 . 1 1055 151 ATOM C C ASP A 171 . 20.948 15.045 1.199 1.00 18.59 . 1 1056 151 ATOM O O ASP A 171 . 21.343 15.177 0.025 1.00 18.59 . 1 1057 151 ATOM C CB ASP A 171 . 21.452 16.747 2.857 1.00 21.17 . 1 1058 151 ATOM C CG ASP A 171 . 20.931 17.941 3.594 1.00 21.17 . 1 1059 151 ATOM O OD1 ASP A 171 . 20.810 19.014 2.943 1.00 21.17 . 1 1060 151 ATOM O OD2 ASP A 171 . 20.573 17.939 4.750 1.00 21.17 . 1 1061 152 ATOM N N THR A 172 . 20.977 13.881 1.864 1.00 15.32 . 1 1062 152 ATOM C CA THR A 172 . 21.467 12.658 1.204 1.00 15.32 . 1 1063 152 ATOM C C THR A 172 . 20.555 12.244 0.076 1.00 15.32 . 1 1064 152 ATOM O O THR A 172 . 21.042 11.799 -0.989 1.00 15.32 . 1 1065 152 ATOM C CB THR A 172 . 21.546 11.514 2.243 1.00 13.44 . 1 1066 152 ATOM O OG1 THR A 172 . 22.409 11.977 3.240 1.00 13.44 . 1 1067 152 ATOM C CG2 THR A 172 . 22.054 10.235 1.633 1.00 13.44 . 1 1068 153 ATOM N N ALA A 173 . 19.246 12.428 0.213 1.00 14.27 . 1 1069 153 ATOM C CA ALA A 173 . 18.295 12.059 -0.833 1.00 14.27 . 1 1070 153 ATOM C C ALA A 173 . 18.466 12.983 -2.046 1.00 14.27 . 1 1071 153 ATOM O O ALA A 173 . 18.173 12.553 -3.177 1.00 14.27 . 1 1072 153 ATOM C CB ALA A 173 . 16.880 12.113 -0.339 1.00 14.30 . 1 1073 154 ATOM N N ARG A 174 . 18.914 14.207 -1.853 1.00 16.09 . 1 1074 154 ATOM C CA ARG A 174 . 19.165 15.167 -2.967 1.00 16.09 . 1 1075 154 ATOM C C ARG A 174 . 20.431 14.765 -3.708 1.00 16.09 . 1 1076 154 ATOM O O ARG A 174 . 20.530 14.798 -4.928 1.00 16.09 . 1 1077 154 ATOM C CB ARG A 174 . 19.307 16.544 -2.372 1.00 14.80 . 1 1078 154 ATOM C CG ARG A 174 . 17.926 17.080 -2.024 1.00 14.80 . 1 1079 154 ATOM C CD ARG A 174 . 18.018 18.472 -1.418 1.00 14.80 . 1 1080 154 ATOM N NE ARG A 174 . 16.604 18.928 -1.230 1.00 14.80 . 1 1081 154 ATOM C CZ ARG A 174 . 16.284 19.810 -0.310 1.00 14.80 . 1 1082 154 ATOM N NH1 ARG A 174 . 17.251 20.330 0.440 1.00 14.80 . 1 1083 154 ATOM N NH2 ARG A 174 . 14.999 20.152 -0.138 1.00 14.80 . 1 1084 155 ATOM N N MET A 175 . 21.402 14.270 -2.930 1.00 18.56 . 1 1085 155 ATOM C CA MET A 175 . 22.671 13.745 -3.436 1.00 18.56 . 1 1086 155 ATOM C C MET A 175 . 22.351 12.510 -4.244 1.00 18.56 . 1 1087 155 ATOM O O MET A 175 . 22.749 12.386 -5.408 1.00 18.56 . 1 1088 155 ATOM C CB MET A 175 . 23.634 13.374 -2.337 1.00 19.35 . 1 1089 155 ATOM C CG MET A 175 . 24.957 12.776 -2.785 1.00 19.35 . 1 1090 155 ATOM S SD MET A 175 . 24.881 10.959 -2.974 1.00 19.35 . 1 1091 155 ATOM C CE MET A 175 . 24.889 10.468 -1.238 1.00 19.35 . 1 1092 156 ATOM N N GLN A 176 . 21.561 11.599 -3.735 1.00 18.45 . 1 1093 156 ATOM C CA GLN A 176 . 21.231 10.407 -4.517 1.00 18.45 . 1 1094 156 ATOM C C GLN A 176 . 20.474 10.769 -5.780 1.00 18.45 . 1 1095 156 ATOM O O GLN A 176 . 20.690 10.115 -6.805 1.00 18.45 . 1 1096 156 ATOM C CB GLN A 176 . 20.419 9.438 -3.690 1.00 18.61 . 1 1097 156 ATOM C CG GLN A 176 . 21.094 9.075 -2.353 1.00 18.61 . 1 1098 156 ATOM C CD GLN A 176 . 20.133 8.244 -1.519 1.00 18.61 . 1 1099 156 ATOM O OE1 GLN A 176 . 19.520 8.736 -0.585 1.00 18.61 . 1 1100 156 ATOM N NE2 GLN A 176 . 19.952 6.999 -1.900 1.00 18.61 . 1 1101 157 ATOM N N ARG A 177 . 19.590 11.762 -5.750 1.00 19.91 . 1 1102 157 ATOM C CA ARG A 177 . 18.847 12.192 -6.919 1.00 19.91 . 1 1103 157 ATOM C C ARG A 177 . 19.823 12.731 -7.967 1.00 19.91 . 1 1104 157 ATOM O O ARG A 177 . 19.743 12.297 -9.101 1.00 19.91 . 1 1105 157 ATOM C CB ARG A 177 . 17.846 13.311 -6.614 1.00 21.28 . 1 1106 157 ATOM C CG ARG A 177 . 17.284 13.986 -7.848 1.00 21.28 . 1 1107 157 ATOM C CD ARG A 177 . 16.350 15.127 -7.577 1.00 21.28 . 1 1108 157 ATOM N NE ARG A 177 . 16.958 16.249 -6.895 1.00 21.28 . 1 1109 157 ATOM C CZ ARG A 177 . 17.798 17.108 -7.444 1.00 21.28 . 1 1110 157 ATOM N NH1 ARG A 177 . 18.163 16.932 -8.695 1.00 21.28 . 1 1111 157 ATOM N NH2 ARG A 177 . 18.271 18.139 -6.735 1.00 21.28 . 1 1112 158 ATOM N N ALA A 178 . 20.713 13.624 -7.541 1.00 19.56 . 1 1113 158 ATOM C CA ALA A 178 . 21.711 14.215 -8.424 1.00 19.56 . 1 1114 158 ATOM C C ALA A 178 . 22.598 13.140 -8.996 1.00 19.56 . 1 1115 158 ATOM O O ALA A 178 . 22.741 13.075 -10.226 1.00 19.56 . 1 1116 158 ATOM C CB ALA A 178 . 22.568 15.248 -7.707 1.00 19.24 . 1 1117 159 ATOM N N VAL A 179 . 23.146 12.238 -8.169 1.00 21.48 . 1 1118 159 ATOM C CA VAL A 179 . 23.978 11.159 -8.752 1.00 21.48 . 1 1119 159 ATOM C C VAL A 179 . 23.148 10.237 -9.615 1.00 21.48 . 1 1120 159 ATOM O O VAL A 179 . 23.660 9.647 -10.604 1.00 21.48 . 1 1121 159 ATOM C CB VAL A 179 . 24.726 10.371 -7.694 1.00 19.71 . 1 1122 159 ATOM C CG1 VAL A 179 . 25.537 9.221 -8.335 1.00 19.71 . 1 1123 159 ATOM C CG2 VAL A 179 . 25.697 11.249 -6.946 1.00 19.71 . 1 1124 160 ATOM N N GLY A 180 . 21.875 10.067 -9.288 1.00 23.38 . 1 1125 160 ATOM C CA GLY A 180 . 20.999 9.203 -10.060 1.00 23.38 . 1 1126 160 ATOM C C GLY A 180 . 20.787 9.747 -11.458 1.00 23.38 . 1 1127 160 ATOM O O GLY A 180 . 20.854 8.993 -12.431 1.00 23.38 . 1 1128 161 ATOM N N GLU A 181 . 20.535 11.042 -11.565 1.00 27.09 . 1 1129 161 ATOM C CA GLU A 181 . 20.310 11.685 -12.863 1.00 27.09 . 1 1130 161 ATOM C C GLU A 181 . 21.555 11.546 -13.740 1.00 27.09 . 1 1131 161 ATOM O O GLU A 181 . 21.446 11.224 -14.927 1.00 27.09 . 1 1132 161 ATOM C CB GLU A 181 . 19.958 13.155 -12.689 1.00 31.21 . 1 1133 161 ATOM C CG GLU A 181 . 18.531 13.494 -12.297 1.00 31.21 . 1 1134 161 ATOM C CD GLU A 181 . 18.324 14.918 -11.842 1.00 31.21 . 1 1135 161 ATOM O OE1 GLU A 181 . 19.087 15.841 -12.272 1.00 31.21 . 1 1136 161 ATOM O OE2 GLU A 181 . 17.383 15.198 -11.034 1.00 31.21 . 1 1137 162 ATOM N N ALA A 182 . 22.729 11.760 -13.162 1.00 27.40 . 1 1138 162 ATOM C CA ALA A 182 . 23.987 11.649 -13.872 1.00 27.40 . 1 1139 162 ATOM C C ALA A 182 . 24.210 10.261 -14.440 1.00 27.40 . 1 1140 162 ATOM O O ALA A 182 . 24.650 10.156 -15.607 1.00 27.40 . 1 1141 162 ATOM C CB ALA A 182 . 25.180 11.950 -12.963 1.00 25.79 . 1 1142 163 ATOM N N PHE A 183 . 23.967 9.180 -13.676 1.00 27.24 . 1 1143 163 ATOM C CA PHE A 183 . 24.175 7.839 -14.202 1.00 27.24 . 1 1144 163 ATOM C C PHE A 183 . 22.906 7.179 -14.696 1.00 27.24 . 1 1145 163 ATOM O O PHE A 183 . 22.902 5.986 -15.053 1.00 27.24 . 1 1146 163 ATOM C CB PHE A 183 . 24.735 6.947 -13.103 1.00 25.56 . 1 1147 163 ATOM C CG PHE A 183 . 26.142 7.335 -12.727 1.00 25.56 . 1 1148 163 ATOM C CD1 PHE A 183 . 26.359 8.273 -11.737 1.00 25.56 . 1 1149 163 ATOM C CD2 PHE A 183 . 27.206 6.758 -13.386 1.00 25.56 . 1 1150 163 ATOM C CE1 PHE A 183 . 27.651 8.646 -11.394 1.00 25.56 . 1 1151 163 ATOM C CE2 PHE A 183 . 28.499 7.124 -13.040 1.00 25.56 . 1 1152 163 ATOM C CZ PHE A 183 . 28.724 8.056 -12.053 1.00 25.56 . 1 1153 164 ATOM N N ASP A 184 . 21.827 7.927 -14.709 1.00 29.97 . 1 1154 164 ATOM C CA ASP A 184 . 20.538 7.399 -15.174 1.00 29.97 . 1 1155 164 ATOM C C ASP A 184 . 20.176 6.140 -14.374 1.00 29.97 . 1 1156 164 ATOM O O ASP A 184 . 19.783 5.110 -14.941 1.00 29.97 . 1 1157 164 ATOM C CB ASP A 184 . 20.585 7.086 -16.665 1.00 36.27 . 1 1158 164 ATOM C CG ASP A 184 . 19.190 7.024 -17.264 1.00 36.27 . 1 1159 164 ATOM O OD1 ASP A 184 . 18.199 7.436 -16.582 1.00 36.27 . 1 1160 164 ATOM O OD2 ASP A 184 . 19.041 6.540 -18.423 1.00 36.27 . 1 1161 165 ATOM N N LEU A 185 . 20.316 6.233 -13.047 1.00 27.10 . 1 1162 165 ATOM C CA LEU A 185 . 20.054 5.185 -12.099 1.00 27.10 . 1 1163 165 ATOM C C LEU A 185 . 18.919 5.525 -11.120 1.00 27.10 . 1 1164 165 ATOM O O LEU A 185 . 18.570 6.664 -10.899 1.00 27.10 . 1 1165 165 ATOM C CB LEU A 185 . 21.243 5.049 -11.154 1.00 27.62 . 1 1166 165 ATOM C CG LEU A 185 . 22.419 4.202 -11.455 1.00 27.62 . 1 1167 165 ATOM C CD1 LEU A 185 . 23.329 4.171 -10.220 1.00 27.62 . 1 1168 165 ATOM C CD2 LEU A 185 . 22.007 2.765 -11.823 1.00 27.62 . 1 1169 166 ATOM N N ASP A 186 . 18.402 4.459 -10.519 1.00 21.87 . 1 1170 166 ATOM C CA ASP A 186 . 17.356 4.596 -9.476 1.00 21.87 . 1 1171 166 ATOM C C ASP A 186 . 18.096 5.243 -8.333 1.00 21.87 . 1 1172 166 ATOM O O ASP A 186 . 19.166 4.749 -7.952 1.00 21.87 . 1 1173 166 ATOM C CB ASP A 186 . 16.871 3.223 -9.089 1.00 20.79 . 1 1174 166 ATOM C CG ASP A 186 . 15.818 3.120 -8.029 1.00 20.79 . 1 1175 166 ATOM O OD1 ASP A 186 . 15.635 4.085 -7.231 1.00 20.79 . 1 1176 166 ATOM O OD2 ASP A 186 . 15.125 2.097 -7.961 1.00 20.79 . 1 1177 167 ATOM N N PRO A 187 . 17.609 6.328 -7.751 1.00 19.36 . 1 1178 167 ATOM C CA PRO A 187 . 18.307 6.996 -6.655 1.00 19.36 . 1 1179 167 ATOM C C PRO A 187 . 18.505 6.070 -5.460 1.00 19.36 . 1 1180 167 ATOM O O PRO A 187 . 19.478 6.194 -4.721 1.00 19.36 . 1 1181 167 ATOM C CB PRO A 187 . 17.463 8.219 -6.293 1.00 18.44 . 1 1182 167 ATOM C CG PRO A 187 . 16.220 8.083 -7.088 1.00 18.44 . 1 1183 167 ATOM C CD PRO A 187 . 16.388 7.003 -8.143 1.00 18.44 . 1 1184 168 ATOM N N ARG A 188 . 17.638 5.102 -5.245 1.00 20.06 . 1 1185 168 ATOM C CA ARG A 188 . 17.681 4.121 -4.209 1.00 20.06 . 1 1186 168 ATOM C C ARG A 188 . 18.863 3.192 -4.406 1.00 20.06 . 1 1187 168 ATOM O O ARG A 188 . 19.320 2.580 -3.437 1.00 20.06 . 1 1188 168 ATOM C CB ARG A 188 . 16.401 3.267 -4.188 1.00 21.35 . 1 1189 168 ATOM C CG ARG A 188 . 15.174 4.006 -3.729 1.00 21.35 . 1 1190 168 ATOM C CD ARG A 188 . 13.850 3.286 -3.932 1.00 21.35 . 1 1191 168 ATOM N NE ARG A 188 . 13.663 2.788 -5.278 1.00 21.35 . 1 1192 168 ATOM C CZ ARG A 188 . 12.777 1.874 -5.656 1.00 21.35 . 1 1193 168 ATOM N NH1 ARG A 188 . 11.926 1.376 -4.730 1.00 21.35 . 1 1194 168 ATOM N NH2 ARG A 188 . 12.709 1.391 -6.911 1.00 21.35 . 1 1195 169 ATOM N N SER A 189 . 19.416 3.134 -5.638 1.00 19.58 . 1 1196 169 ATOM C CA SER A 189 . 20.589 2.340 -5.937 1.00 19.58 . 1 1197 169 ATOM C C SER A 189 . 21.908 3.070 -5.687 1.00 19.58 . 1 1198 169 ATOM O O SER A 189 . 23.000 2.513 -5.914 1.00 19.58 . 1 1199 169 ATOM C CB SER A 189 . 20.597 1.868 -7.387 1.00 17.83 . 1 1200 169 ATOM O OG SER A 189 . 19.451 1.076 -7.647 1.00 17.83 . 1 1201 170 ATOM N N VAL A 190 . 21.856 4.291 -5.208 1.00 20.31 . 1 1202 170 ATOM C CA VAL A 190 . 23.065 5.037 -4.919 1.00 20.31 . 1 1203 170 ATOM C C VAL A 190 . 23.318 4.971 -3.432 1.00 20.31 . 1 1204 170 ATOM O O VAL A 190 . 22.410 5.333 -2.658 1.00 20.31 . 1 1205 170 ATOM C CB VAL A 190 . 22.901 6.514 -5.303 1.00 19.39 . 1 1206 170 ATOM C CG1 VAL A 190 . 24.061 7.355 -4.773 1.00 19.39 .