################################################### # # # Converted from PDB format to CIF format by # # pdb2cif version 2.4.3 15 Jul 2005 # # 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_5HVP _entry.id 5HVP ################## # # # STRUCT # # # ################## loop_ _struct.entry_id _struct.title 5HVP ; Compound:: HIV-1 Protease Complex With Acetyl-pepstatin (NY5 Strain) Source:: NY5 Strain Of Human Immunodeficiency Virus Type 1 Expressed In (Escherichia coli), The Inhibitor Is From (Streptomyces namwaensis) ; #################### # # # AUDIT_AUTHOR # # # #################### loop_ _audit_author.name 'Fitzgerald, P.M.D.' 'McKeever, B.M.' 'VanMiddlesworth, J.F.' 'Springer, J.P.' 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 ; Acetyl-Pepstatin At 2.0-Angstroms Resolution ; US 'J.BIOL.CHEM. ' 265 ? 14209 1990 'JBCHA3 ' '0021-9258 ' 071 ? ? ? ? 1 no ; Three-dimensional Structure Of Aspartyl Protease From Human Immunodeficiency Virus HIV-1 ; UK 'NATURE ' 337 ? 615 1989 'NATUAS ' '0028-0836 ' 006 ? ? ? ? 2 no ; Crystallization Of The Aspartylprotease From The Human Immunodefeciency Virus, HIV-1 ; US 'J.BIOL.CHEM. ' 264 ? 1919 1989 'JBCHA3 ' '0021-9258 ' 071 ? ? ? ? 3 no ; Human Immunodeficiency Virus Protease. Bacterial Expression And Characterization Of The Purified Aspartic Protease ; US 'J.BIOL.CHEM. ' 264 ? 2307 1989 'JBCHA3 ' '0021-9258 ' 071 ? ? ? ? loop_ _citation_author.citation_id _citation_author.name primary 'Fitzgerald, P.M.D.' primary 'McKeever, B.M.' primary 'VanMiddlesworth, J.F.' primary 'Springer, J.P.' primary 'Heimbach, J.C.' primary 'Leu, C.-T.' primary 'Herber, W.K.' primary 'Dixon, R.A.F.' primary 'Darke, P.L.' 1 'Navia, M.A.' 1 'Fitzgerald, P.M.D.' 1 'McKeever, B.M.' 1 'Leu, C.-T.' 1 'Heimbach, J.C.' 1 'Herber, W.K.' 1 'Sigal, I.S.' 1 'Darke, P.L.' 1 'Springer, J.P.' 2 'McKeever, B.M.' 2 'Navia, M.A.' 2 'Fitzgerald, P.M.D.' 2 'Springer, J.P.' 2 'Leu, C.-T.' 2 'Heimbach, J.C.' 2 'Herber, W.K.' 2 'Sigal, I.S.' 2 'Darke, P.L.' 3 'Darke, P.L.' 3 'Leu, C.-T.' 3 'Davis, L.J.' 3 'Heimabch, J.C.' 3 'Diehl, R.E.' 3 'Hill, W.S.' 3 'Dixon, R.A.F.' 3 'Sigal, I.S.' _reflns.entry_id 5HVP _reflns.d_resolution_high 2 loop_ _database_PDB_remark.id _database_PDB_remark.text 3 ; REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF J. KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE R VALUE IS 0.176 FOR 12901 REFLECTIONS IN THE RESOLUTION RANGE 8.0 TO 2.0 ANGSTROMS WITH I .GT. SIGMA(I). 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 0.018(0.020) ANGLE DISTANCE 0.038(0.030) PLANAR 1-4 DISTANCE 0.043(0.040) PLANE RESTRAINT (ANGSTROMS) 0.015(0.020) CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.177(0.150) NON-BONDED CONTACT RESTRAINTS (ANGSTROMS) SINGLE TORSION CONTACT 0.216(0.500) MULTIPLE TORSION CONTACT 0.207(0.500) POSSIBLE HYDROGEN BOND 0.245(0.500) CONFORMATIONAL TORSION ANGLE RESTRAINT (DEGREES) PLANAR (OMEGA) 2.6(3.0) STAGGERED 17.4(15.0) ORTHONORMAL 18.1(20.0) ; 4 ; THE TWO CHAINS OF THE DIMERIC ENZYME HAS BEEN ASSIGNED THE THE CHAIN INDICATORS *A* AND *B*. ; 5 ; THE INHIBITOR HAS BEEN ASSIGNED THE CHAIN INDICATOR *C*. ; 6 ; THE INHIBITOR BINDS TO THE ENZYME IN TWO ROUGHLY TWOFOLD SYMMETRIC ORIENTATIONS. THE ALTERNATE CONFORMATIONS ARE REPRESENTED BY THE ALTERNATE LOCATION INDICATORS *1* AND *2*. THE FIRST ORIENTATION, *1*, WAS DENOTED A IN THE PUBLICATION CITED IN THE *JRNL* RECORDS ABOVE, WHILE THE ALTERNATE ORIENTATION, *2*, WAS DENOTED B. ; 7 ; IN THE PAPER CITED IN THE *JRNL* RECORDS ABOVE, THE *B* CHAIN RESIDUES WERE NUMBERED FROM 201 TO 299. THIS NUMBERING SCHEME HAS BEEN RETAINED. ; 8 ; NO ELECTRON DENSITY WAS OBSERVED BEYOND THE POSITION OF THE BETA CARBON OF RESIDUES ARG A 41, LYS A 43 AND GLN A 61 AND NO ELECTRON DENSITY WAS OBSERVED FOR THE DELTA CARBON OF RESIDUE ILE A 72. THEREFORE THE CORRESPONDING COORDINATES ARE NOT INCLUDED IN THIS ENTRY. ; 9 ; THE SHEET *S1* IS FORMED BY THE INTERDIGITATING STRANDS FROM THE TWO MONOMERS OF THE DIMERIC ENZYME. STRANDS 1 AND 3 ARE FROM CHAIN *A*. STRANDS 2 AND 4 ARE FROM CHAIN *B*. ; 10 ; WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR *1* OR *2* AND OCCUPANCY 0.50 EITHER CORRELATE WITH THE APPROPRIATE ALTERNATE LOCATION (*1* OR *2*) OF AN AMINO ACID SIDE CHAIN IN THE PROTEIN OR CORRELATE WITH A SECOND WATER MOLECULE WHOSE POSITION CANNOT BE OCCUPIED SIMULATANEOUSLY. ; 11 ; THE SOLVENT AND CHLORIDE IONS ARE GIVEN IN THE HETATM LIST IN ORDER OF INCREASING TEMPERATURE FACTORS. ; _cell.entry_id 5HVP _cell.length_a 58.390 _cell.length_b 86.700 _cell.length_c 46.270 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.volume 234237.8 _cell.details ? _cell.Z_PDB 4 _symmetry.entry_id 5HVP _symmetry.space_group_name_H-M 'P 21 21 2 ' #################### # # # AUDIT # # # #################### _audit.revision_id 5HVP _audit.creation_date 1990-04-30 _audit.update_record ; 2005-07-15 Converted to mmCIF format by pdb2cif.pl 2.4.3 ; ########################## # # # ENTITY_POLY_SEQ # # # ########################## loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 PRO 1 2 GLN 1 3 ILE 1 4 THR 1 5 LEU 1 6 TRP 1 7 GLN 1 8 ARG 1 9 PRO 1 10 LEU 1 11 VAL 1 12 THR 1 13 ILE 1 14 LYS 1 15 ILE 1 16 GLY 1 17 GLY 1 18 GLN 1 19 LEU 1 20 LYS 1 21 GLU 1 22 ALA 1 23 LEU 1 24 LEU 1 25 ASP 1 26 THR 1 27 GLY 1 28 ALA 1 29 ASP 1 30 ASP 1 31 THR 1 32 VAL 1 33 LEU 1 34 GLU 1 35 GLU 1 36 MET 1 37 ASN 1 38 LEU 1 39 PRO 1 40 GLY 1 41 ARG 1 42 TRP 1 43 LYS 1 44 PRO 1 45 LYS 1 46 MET 1 47 ILE 1 48 GLY 1 49 GLY 1 50 ILE 1 51 GLY 1 52 GLY 1 53 PHE 1 54 ILE 1 55 LYS 1 56 VAL 1 57 ARG 1 58 GLN 1 59 TYR 1 60 ASP 1 61 GLN 1 62 ILE 1 63 LEU 1 64 ILE 1 65 GLU 1 66 ILE 1 67 CYS 1 68 GLY 1 69 HIS 1 70 LYS 1 71 ALA 1 72 ILE 1 73 GLY 1 74 THR 1 75 VAL 1 76 LEU 1 77 VAL 1 78 GLY 1 79 PRO 1 80 THR 1 81 PRO 1 82 VAL 1 83 ASN 1 84 ILE 1 85 ILE 1 86 GLY 1 87 ARG 1 88 ASN 1 89 LEU 1 90 LEU 1 91 THR 1 92 GLN 1 93 ILE 1 94 GLY 1 95 CYS 1 96 THR 1 97 LEU 1 98 ASN 1 99 PHE 3 100 ACE 3 101 VAL 3 102 VAL 3 103 STA 3 104 ALA 3 105 STA loop_ _entity.id _entity.type _entity.details 1 polymer ; Protein chain: A, B ; 3 polymer ; Protein chain: C ; 4 non-polymer 'het group CL' 5 water 'HOH' loop_ _struct_asym.entity_id _struct_asym.id 1 A 1 B 3 C 4 CL 5 HOH #################### # # # CHEM_COMP # # # #################### loop_ _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.formula _chem_comp.name STA no ; 2(C8 H17 N1 O3) ; ; STATINE ; CL no ; 2(CL1 -) ; ; CHLORIDE ION ; HOH no ; 170(H2 O1) ; ; ; ALA yes 'C3 H7 N1 O2' "Alanine" ARG yes 'C6 H14 N4 O2' "Arginine" ASN yes 'C4 H8 N2 O3' "Asparagine" ASP yes 'C4 H7 N1 O4' "Aspartic acid" CYS yes 'C3 H7 N1 O2 S1' "Cysteine" GLN yes 'C5 H10 N2 O3' "Glutamine" GLU yes 'C5 H9 N1 O4' "Glutamic acid" GLY yes 'C2 H5 N1 O2' "Glycine" HIS yes 'C6 H9 N3 O2' "Histidine" ILE yes 'C6 H13 N1 O2' "Isoleucine" LEU yes 'C6 H13 N1 O2' "Leucine" LYS yes 'C6 H14 N2 O2' "Lysine" MET yes 'C5 H11 N1 O2 S1' "Methionine" PHE yes 'C9 H11 N1 O2' "Phenylalanine" PRO yes 'C5 H9 N1 O2' "Proline" 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" ACE yes 'C2 H4 O2' "Acetic Acid" ###################### # # # 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] 5HVP 0.017126 0.000000 0.000000 0.00000 0.000000 0.011534 0.000000 0.00000 0.000000 0.000000 0.021612 0.00000 loop_ _atom_sites.entry_id _atom_sites.cartn_transform_axes _atom_sites.fract_transf_matrix[1][1] _atom_sites.fract_transf_matrix[1][2] _atom_sites.fract_transf_matrix[1][3] _atom_sites.fract_transf_vector[1] _atom_sites.fract_transf_matrix[2][1] _atom_sites.fract_transf_matrix[2][2] _atom_sites.fract_transf_matrix[2][3] _atom_sites.fract_transf_vector[2] _atom_sites.fract_transf_matrix[3][1] _atom_sites.fract_transf_matrix[3][2] _atom_sites.fract_transf_matrix[3][3] _atom_sites.fract_transf_vector[3] 5HVP 'See _atom_sites.fract_transf_matrix[i][j]' 0.017126 0.000000 0.000000 0.00000 0.000000 0.011534 0.000000 0.00000 0.000000 0.000000 0.021612 0.00000 #################### # # # ATOM_SITES_ALT # # # #################### loop_ _atom_sites_alt.id _atom_sites_alt.details 1 ? 2 ? ###################### # # # ATOM_SITES_FOOTNOTE# # # ###################### loop_ _atom_sites_footnote.id _atom_sites_footnote.text 1 ; SIDE CHAINS OF THESE RESIDUES HAVE BEEN MODELED IN TWO ALTERNATE CONFORMATIONS AND ASSIGNED ALTERNATE LOCATION INDICATORS *1* AND *2*. ; 2 ; THE OCCUPANCIES OF SOLVENT MOLECULES WHICH CORRELATED WITH STATIC DISORDER IN THE PROTEIN HAVE BEEN SET TO LESS THAN UNITY. WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR *1* AND OCCUPANCY 0.58 CORRELATE WITH INHIBITOR ORIENTATIO *1*. WATER MOLECULES WITH ALTERNATE LOCATION INDICATOR *2* AND OCCUPANCY 0.42 CORRELATE WITH INHIBITOR ORIENTATION *2* IF THE SOLVENT MOLECULE IS DISTANT FROM THE BOUND INHIBITOR AN OCCUPANCY OF 0.50 HAS BEEN ASSIGNED. ; #################### # # # 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 PRO A 1 . 29.061 39.981 4.981 1.00 28.69 . 1 1 1 ATOM C CA PRO A 1 . 29.970 38.922 4.561 1.00 29.08 . 1 2 1 ATOM C C PRO A 1 . 29.325 38.106 3.429 1.00 29.19 . 1 3 1 ATOM O O PRO A 1 . 28.097 38.168 3.298 1.00 29.87 . 1 4 1 ATOM C CB PRO A 1 . 30.106 38.013 5.789 1.00 29.07 . 1 5 1 ATOM C CG PRO A 1 . 28.749 38.112 6.413 1.00 28.59 . 1 6 1 ATOM C CD PRO A 1 . 28.387 39.600 6.246 1.00 29.21 . 1 7 2 ATOM N N GLN A 2 . 30.153 37.412 2.681 1.00 28.13 . 1 8 2 ATOM C CA GLN A 2 . 29.636 36.572 1.593 1.00 27.95 . 1 9 2 ATOM C C GLN A 2 . 29.861 35.139 2.082 1.00 27.28 . 1 10 2 ATOM O O GLN A 2 . 31.038 34.773 2.266 1.00 27.61 . 1 11 2 ATOM C CB GLN A 2 . 30.373 36.787 0.305 1.00 28.43 . 1 12 2 ATOM C CG GLN A 2 . 30.346 35.501 -0.539 1.00 29.40 . 1 13 2 ATOM C CD GLN A 2 . 30.921 35.844 -1.899 1.00 29.51 . 1 14 2 ATOM O OE1 GLN A 2 . 31.894 35.283 -2.340 1.00 30.56 . 1 15 2 ATOM N NE2 GLN A 2 . 30.288 36.839 -2.518 1.00 30.01 . 1 16 3 ATOM N N ILE A 3 . 28.781 34.445 2.318 1.00 25.31 . 1 17 3 ATOM C CA ILE A 3 . 28.879 33.060 2.829 1.00 23.38 . 1 18 3 ATOM C C ILE A 3 . 28.737 32.124 1.637 1.00 22.61 . 1 19 3 ATOM O O ILE A 3 . 27.836 32.313 0.835 1.00 21.98 . 1 20 3 ATOM C CB ILE A 3 . 27.725 32.943 3.878 1.00 23.09 . 1 21 3 ATOM C CG1 ILE A 3 . 27.924 34.066 4.950 1.00 23.06 . 1 22 3 ATOM C CG2 ILE A 3 . 27.537 31.564 4.529 1.00 22.44 . 1 23 3 ATOM C CD1 ILE A 3 . 26.701 34.133 5.945 1.00 23.02 . 1 24 4 ATOM N N THR A 4 . 29.617 31.137 1.532 1.00 21.67 . 1 25 4 ATOM C CA THR A 4 . 29.513 30.113 0.468 1.00 19.49 . 1 26 4 ATOM C C THR A 4 . 28.695 28.979 1.096 1.00 18.82 . 1 27 4 ATOM O O THR A 4 . 28.553 28.960 2.335 1.00 18.30 . 1 28 4 ATOM C CB THR A 4 . 30.920 29.641 -0.032 1.00 19.93 . 1 29 4 ATOM O OG1 THR A 4 . 31.632 29.194 1.195 1.00 20.26 . 1 30 4 ATOM C CG2 THR A 4 . 31.629 30.778 -0.752 1.00 19.66 . 1 31 5 ATOM N N LEU A 5 . 28.199 28.090 0.273 1.00 18.18 . 1 32 5 ATOM C CA LEU A 5 . 27.327 27.003 0.728 1.00 17.71 . 1 33 5 ATOM C C LEU A 5 . 27.942 25.635 0.667 1.00 16.85 . 1 34 5 ATOM O O LEU A 5 . 27.204 24.650 0.484 1.00 17.09 . 1 35 5 ATOM C CB LEU A 5 . 26.007 27.179 -0.085 1.00 16.76 . 1 36 5 ATOM C CG LEU A 5 . 25.319 28.529 0.128 1.00 17.80 . 1 37 5 ATOM C CD1 LEU A 5 . 24.267 28.790 -0.914 1.00 17.33 . 1 38 5 ATOM C CD2 LEU A 5 . 24.760 28.634 1.525 1.00 16.65 . 1 39 6 ATOM N N TRP A 6 . 29.241 25.547 0.821 1.00 16.49 . 1 40 6 ATOM C CA TRP A 6 . 29.974 24.273 0.856 1.00 15.93 . 1 41 6 ATOM C C TRP A 6 . 29.579 23.650 2.189 1.00 15.88 . 1 42 6 ATOM O O TRP A 6 . 29.417 22.421 2.259 1.00 14.82 . 1 43 6 ATOM C CB TRP A 6 . 31.463 24.442 0.690 1.00 16.51 . 1 44 6 ATOM C CG TRP A 6 . 32.037 24.918 -0.581 1.00 16.94 . 1 45 6 ATOM C CD1 TRP A 6 . 32.659 26.119 -0.816 1.00 17.13 . 1 46 6 ATOM C CD2 TRP A 6 . 32.103 24.177 -1.829 1.00 17.44 . 1 47 6 ATOM N NE1 TRP A 6 . 33.088 26.201 -2.118 1.00 17.87 . 1 48 6 ATOM C CE2 TRP A 6 . 32.790 24.985 -2.747 1.00 18.34 . 1 49 6 ATOM C CE3 TRP A 6 . 31.676 22.929 -2.214 1.00 18.98 . 1 50 6 ATOM C CZ2 TRP A 6 . 33.038 24.593 -4.057 1.00 18.87 . 1 51 6 ATOM C CZ3 TRP A 6 . 31.970 22.474 -3.504 1.00 19.09 . 1 52 6 ATOM C CH2 TRP A 6 . 32.620 23.310 -4.417 1.00 18.63 . 1 53 7 ATOM N N GLN A 7 . 29.323 24.540 3.154 1.00 15.33 . 1 54 7 ATOM C CA GLN A 7 . 28.869 23.997 4.484 1.00 15.88 . 1 55 7 ATOM C C GLN A 7 . 27.502 24.592 4.839 1.00 15.32 . 1 56 7 ATOM O O GLN A 7 . 27.088 25.559 4.199 1.00 14.31 . 1 57 7 ATOM C CB GLN A 7 . 29.819 24.531 5.588 1.00 16.42 . 1 58 7 ATOM C CG GLN A 7 . 31.188 23.883 5.546 1.00 18.12 . 1 59 7 ATOM C CD GLN A 7 . 32.241 24.312 4.612 1.00 18.67 . 1 60 7 ATOM O OE1 GLN A 7 . 32.716 25.442 4.407 1.00 18.62 . 1 61 7 ATOM N NE2 GLN A 7 . 32.840 23.261 3.934 1.00 19.38 . 1 62 8 ATOM N N ARG A 8 . 26.952 24.059 5.919 1.00 15.78 . 1 63 8 ATOM C CA ARG A 8 . 25.689 24.716 6.375 1.00 16.84 . 1 64 8 ATOM C C ARG A 8 . 26.014 26.142 6.777 1.00 16.79 . 1 65 8 ATOM O O ARG A 8 . 26.952 26.417 7.594 1.00 16.86 . 1 66 8 ATOM C CB ARG A 8 . 25.168 23.982 7.615 1.00 16.91 . 1 67 8 ATOM C CG ARG A 8 . 24.736 22.578 7.194 1.00 17.67 . 1 68 8 ATOM C CD ARG A 8 . 23.806 22.038 8.308 1.00 18.68 . 1 69 8 ATOM N NE ARG A 8 . 23.212 20.826 7.685 1.00 18.52 . 1 70 8 ATOM C CZ ARG A 8 . 23.209 19.775 8.562 1.00 20.11 . 1 71 8 ATOM N NH1 ARG A 8 . 22.865 18.553 8.231 1.00 19.48 . 1 72 8 ATOM N NH2 ARG A 8 . 23.560 20.080 9.807 1.00 19.94 . 1 73 9 ATOM N N PRO A 9 . 25.215 27.070 6.255 1.00 16.01 . 1 74 9 ATOM C CA PRO A 9 . 25.415 28.480 6.613 1.00 15.07 . 1 75 9 ATOM C C PRO A 9 . 24.957 28.708 8.047 1.00 14.72 . 1 76 9 ATOM O O PRO A 9 . 23.901 29.299 8.192 1.00 12.46 . 1 77 9 ATOM C CB PRO A 9 . 24.469 29.227 5.655 1.00 14.50 . 1 78 9 ATOM C CG PRO A 9 . 23.490 28.243 5.179 1.00 14.45 . 1 79 9 ATOM C CD PRO A 9 . 24.117 26.857 5.291 1.00 15.06 . 1 80 10 ATOM N N LEU A 10 . 25.755 28.437 9.067 1.00 16.67 . 1 81 10 ATOM C CA LEU A 10 . 25.452 28.653 10.471 1.00 17.14 . 1 82 10 ATOM C C LEU A 10 . 26.111 29.924 11.002 1.00 18.34 . 1 83 10 ATOM O O LEU A 10 . 27.298 30.181 10.680 1.00 18.34 . 1 84 10 ATOM C CB LEU A 10 . 25.929 27.501 11.355 1.00 17.99 . 1 85 10 ATOM C CG LEU A 10 . 25.257 26.163 11.238 1.00 18.72 . 1 86 10 ATOM C CD1 LEU A 10 . 26.026 25.108 12.055 1.00 18.37 . 1 87 10 ATOM C CD2 LEU A 10 . 23.804 26.194 11.734 1.00 19.00 . 1 88 11 ATOM N N VAL A 11 . 25.369 30.691 11.795 1.00 17.93 . 1 89 11 ATOM C CA VAL A 11 . 25.970 31.965 12.332 1.00 17.75 . 1 90 11 ATOM C C VAL A 11 . 25.569 32.010 13.808 1.00 17.83 . 1 91 11 ATOM O O VAL A 11 . 24.735 31.190 14.167 1.00 17.53 . 1 92 11 ATOM C CB VAL A 11 . 25.379 33.146 11.540 1.00 17.66 . 1 93 11 ATOM C CG1 VAL A 11 . 25.584 33.034 10.030 1.00 18.86 . 1 94 11 ATOM C CG2 VAL A 11 . 23.933 33.309 11.872 1.00 17.12 . 1 95 12 ATOM N N THR A 12 . 26.095 32.930 14.590 1.00 18.97 1 1 96 12 ATOM C CA THR A 12 . 25.734 32.995 16.032 1.00 19.80 1 1 97 12 ATOM C C THR A 12 . 24.695 34.106 16.113 1.00 20.92 1 1 98 12 ATOM O O THR A 12 . 24.869 35.118 15.421 1.00 21.84 1 1 99 12 ATOM C CB THR A 12 . 26.911 33.346 17.018 1.00 20.51 1 1 100 12 ATOM O OG1 THR A 12 1 27.946 33.921 16.183 0.50 20.29 1 1 101 12 ATOM O OG1 THR A 12 2 27.769 32.142 17.103 0.50 20.59 1 1 102 12 ATOM C CG2 THR A 12 1 27.418 32.181 17.878 0.50 20.47 1 1 103 12 ATOM C CG2 THR A 12 2 26.489 33.778 18.426 0.50 20.00 1 1 104 13 ATOM N N ILE A 13 . 23.664 33.855 16.884 1.00 22.08 . 1 105 13 ATOM C CA ILE A 13 . 22.623 34.850 17.093 1.00 23.44 . 1 106 13 ATOM C C ILE A 13 . 22.657 35.113 18.610 1.00 25.77 . 1 107 13 ATOM O O ILE A 13 . 23.123 34.250 19.406 1.00 26.28 . 1 108 13 ATOM C CB ILE A 13 . 21.236 34.463 16.492 1.00 22.67 . 1 109 13 ATOM C CG1 ILE A 13 . 20.478 33.469 17.371 1.00 22.14 . 1 110 13 ATOM C CG2 ILE A 13 . 21.357 33.986 15.016 1.00 21.75 . 1 111 13 ATOM C CD1 ILE A 13 . 19.090 32.994 16.868 1.00 20.60 . 1 112 14 ATOM N N LYS A 14 . 22.263 36.312 18.908 1.00 27.34 . 1 113 14 ATOM C CA LYS A 14 . 22.119 36.770 20.294 1.00 29.57 . 1 114 14 ATOM C C LYS A 14 . 20.614 37.079 20.408 1.00 29.89 . 1 115 14 ATOM O O LYS A 14 . 20.045 37.964 19.757 1.00 29.85 . 1 116 14 ATOM C CB LYS A 14 . 23.022 37.882 20.722 1.00 30.15 . 1 117 14 ATOM C CG LYS A 14 . 22.826 38.293 22.201 1.00 32.07 . 1 118 14 ATOM C CD LYS A 14 . 23.886 39.292 22.658 1.00 33.14 . 1 119 14 ATOM C CE LYS A 14 . 25.171 38.599 23.093 1.00 34.34 . 1 120 14 ATOM N NZ LYS A 14 . 26.025 39.416 24.014 1.00 34.83 . 1 121 15 ATOM N N ILE A 15 . 19.994 36.244 21.220 1.00 31.26 . 1 122 15 ATOM C CA ILE A 15 . 18.567 36.359 21.484 1.00 33.34 . 1 123 15 ATOM C C ILE A 15 . 18.273 36.274 22.978 1.00 34.25 . 1 124 15 ATOM O O ILE A 15 . 18.456 35.246 23.637 1.00 35.18 . 1 125 15 ATOM C CB ILE A 15 . 17.727 35.261 20.720 1.00 32.75 . 1 126 15 ATOM C CG1 ILE A 15 . 16.282 35.694 20.956 1.00 33.18 . 1 127 15 ATOM C CG2 ILE A 15 . 18.093 33.858 21.235 1.00 32.63 . 1 128 15 ATOM C CD1 ILE A 15 . 15.127 34.713 20.918 1.00 32.99 . 1 129 16 ATOM N N GLY A 16 . 17.865 37.409 23.485 1.00 36.22 . 1 130 16 ATOM C CA GLY A 16 . 17.474 37.557 24.900 1.00 38.05 . 1 131 16 ATOM C C GLY A 16 . 18.617 37.147 25.821 1.00 39.33 . 1 132 16 ATOM O O GLY A 16 . 18.475 36.345 26.757 1.00 39.33 . 1 133 17 ATOM N N GLY A 17 . 19.735 37.806 25.492 1.00 39.78 . 1 134 17 ATOM C CA GLY A 17 . 20.968 37.625 26.215 1.00 40.80 . 1 135 17 ATOM C C GLY A 17 . 21.644 36.293 25.969 1.00 41.15 . 1 136 17 ATOM O O GLY A 17 . 22.779 36.164 26.498 1.00 42.19 . 1 137 18 ATOM N N GLN A 18 . 21.006 35.403 25.245 1.00 40.52 . 1 138 18 ATOM C CA GLN A 18 . 21.591 34.080 24.961 1.00 39.85 . 1 139 18 ATOM C C GLN A 18 . 22.227 34.107 23.582 1.00 38.55 . 1 140 18 ATOM O O GLN A 18 . 21.678 34.727 22.667 1.00 38.54 . 1 141 18 ATOM C CB GLN A 18 . 20.541 32.974 25.103 1.00 40.69 . 1 142 18 ATOM C CG GLN A 18 . 19.621 33.425 26.233 1.00 41.88 . 1 143 18 ATOM C CD GLN A 18 . 18.898 32.292 26.866 1.00 42.93 . 1 144 18 ATOM O OE1 GLN A 18 . 18.419 31.368 26.197 1.00 43.74 . 1 145 18 ATOM N NE2 GLN A 18 . 18.841 32.391 28.202 1.00 43.72 . 1 146 19 ATOM N N LEU A 19 . 23.369 33.458 23.517 1.00 37.16 . 1 147 19 ATOM C CA LEU A 19 . 24.147 33.356 22.254 1.00 35.95 . 1 148 19 ATOM C C LEU A 19 . 23.807 31.971 21.692 1.00 34.32 . 1 149 19 ATOM O O LEU A 19 . 23.963 31.001 22.449 1.00 34.28 . 1 150 19 ATOM C CB LEU A 19 . 25.593 33.606 22.578 1.00 36.59 . 1 151 19 ATOM C CG LEU A 19 . 26.111 35.019 22.438 1.00 37.46 . 1 152 19 ATOM C CD1 LEU A 19 . 27.483 35.101 23.085 1.00 38.09 . 1 153 19 ATOM C CD2 LEU A 19 . 26.223 35.360 20.955 1.00 37.90 . 1 154 20 ATOM N N LYS A 20 . 23.320 31.938 20.468 1.00 32.38 . 1 155 20 ATOM C CA LYS A 20 . 22.914 30.691 19.833 1.00 30.25 . 1 156 20 ATOM C C LYS A 20 . 23.437 30.612 18.402 1.00 28.62 . 1 157 20 ATOM O O LYS A 20 . 23.980 31.571 17.851 1.00 27.14 . 1 158 20 ATOM C CB LYS A 20 . 21.423 30.434 19.760 1.00 30.87 . 1 159 20 ATOM C CG LYS A 20 . 20.597 30.883 20.943 1.00 31.54 . 1 160 20 ATOM C CD LYS A 20 . 19.297 30.083 21.062 1.00 32.10 . 1 161 20 ATOM C CE LYS A 20 . 19.030 29.881 22.546 1.00 32.80 . 1 162 20 ATOM N NZ LYS A 20 . 18.197 28.661 22.768 1.00 33.84 . 1 163 21 ATOM N N GLU A 21 . 23.263 29.401 17.907 1.00 27.06 . 1 164 21 ATOM C CA GLU A 21 . 23.701 29.067 16.562 1.00 26.86 . 1 165 21 ATOM C C GLU A 21 . 22.431 28.860 15.721 1.00 23.95 . 1 166 21 ATOM O O GLU A 21 . 21.587 28.110 16.225 1.00 23.73 . 1 167 21 ATOM C CB GLU A 21 . 24.432 27.734 16.448 1.00 29.21 . 1 168 21 ATOM C CG GLU A 21 . 25.880 27.657 16.910 1.00 31.59 . 1 169 21 ATOM C CD GLU A 21 . 26.773 28.630 16.189 1.00 33.27 . 1 170 21 ATOM O OE1 GLU A 21 . 27.008 28.534 14.989 1.00 34.73 . 1 171 21 ATOM O OE2 GLU A 21 . 27.205 29.530 16.946 1.00 34.83 . 1 172 22 ATOM N N ALA A 22 . 22.436 29.441 14.550 1.00 21.08 . 1 173 22 ATOM C CA ALA A 22 . 21.222 29.190 13.723 1.00 18.26 . 1 174 22 ATOM C C ALA A 22 . 21.629 29.165 12.273 1.00 17.34 . 1 175 22 ATOM O O ALA A 22 . 22.654 29.714 11.891 1.00 17.30 . 1 176 22 ATOM C CB ALA A 22 . 20.182 30.253 14.091 1.00 17.51 . 1 177 23 ATOM N N LEU A 23 . 20.814 28.489 11.486 1.00 15.59 . 1 178 23 ATOM C CA LEU A 23 . 20.835 28.282 10.073 1.00 13.92 . 1 179 23 ATOM C C LEU A 23 . 20.188 29.436 9.309 1.00 12.68 . 1 180 23 ATOM O O LEU A 23 . 19.027 29.829 9.601 1.00 14.33 . 1 181 23 ATOM C CB LEU A 23 . 20.045 26.950 9.810 1.00 13.68 . 1 182 23 ATOM C CG LEU A 23 . 20.177 26.437 8.398 1.00 13.67 . 1 183 23 ATOM C CD1 LEU A 23 . 21.646 26.039 8.241 1.00 14.76 . 1 184 23 ATOM C CD2 LEU A 23 . 19.306 25.184 8.210 1.00 14.27 . 1 185 24 ATOM N N LEU A 24 . 20.856 29.999 8.354 1.00 11.23 . 1 186 24 ATOM C CA LEU A 24 . 20.284 31.051 7.500 1.00 11.69 . 1 187 24 ATOM C C LEU A 24 . 19.538 30.205 6.421 1.00 11.35 . 1 188 24 ATOM O O LEU A 24 . 20.177 29.718 5.514 1.00 12.63 . 1 189 24 ATOM C CB LEU A 24 . 21.326 31.972 6.913 1.00 10.72 . 1 190 24 ATOM C CG LEU A 24 . 22.279 32.685 7.929 1.00 10.37 . 1 191 24 ATOM C CD1 LEU A 24 . 23.181 33.621 7.173 1.00 9.31 . 1 192 24 ATOM C CD2 LEU A 24 . 21.388 33.423 8.915 1.00 8.95 . 1 193 25 ATOM N N ASP A 25 . 18.253 30.133 6.560 1.00 10.98 . 1 194 25 ATOM C CA ASP A 25 . 17.440 29.314 5.604 1.00 8.53 . 1 195 25 ATOM C C ASP A 25 . 16.612 30.166 4.688 1.00 8.11 . 1 196 25 ATOM O O ASP A 25 . 15.562 30.716 5.086 1.00 6.81 . 1 197 25 ATOM C CB ASP A 25 . 16.643 28.411 6.584 1.00 9.11 . 1 198 25 ATOM C CG ASP A 25 . 15.943 27.310 5.810 1.00 10.79 . 1 199 25 ATOM O OD1 ASP A 25 . 15.233 26.517 6.479 1.00 12.24 . 1 200 25 ATOM O OD2 ASP A 25 . 16.085 27.333 4.573 1.00 10.55 . 1 201 26 ATOM N N THR A 26 . 16.912 30.237 3.397 1.00 7.23 . 1 202 26 ATOM C CA THR A 26 . 16.178 30.995 2.416 1.00 6.11 . 1 203 26 ATOM C C THR A 26 . 14.927 30.185 2.029 1.00 8.33 . 1 204 26 ATOM O O THR A 26 . 14.038 30.802 1.328 1.00 8.76 . 1 205 26 ATOM C CB THR A 26 . 17.046 31.296 1.101 1.00 6.11 . 1 206 26 ATOM O OG1 THR A 26 . 17.429 29.986 0.669 1.00 4.91 . 1 207 26 ATOM C CG2 THR A 26 . 18.221 32.235 1.393 1.00 4.90 . 1 208 27 ATOM N N GLY A 27 . 14.856 28.988 2.587 1.00 7.27 . 1 209 27 ATOM C CA GLY A 27 . 13.688 28.119 2.289 1.00 9.57 . 1 210 27 ATOM C C GLY A 27 . 12.707 28.130 3.433 1.00 9.23 . 1 211 27 ATOM O O GLY A 27 . 11.787 27.260 3.394 1.00 11.82 . 1 212 28 ATOM N N ALA A 28 . 12.814 28.972 4.373 1.00 9.48 . 1 213 28 ATOM C CA ALA A 28 . 11.968 29.134 5.550 1.00 10.91 . 1 214 28 ATOM C C ALA A 28 . 11.246 30.496 5.468 1.00 12.49 . 1 215 28 ATOM O O ALA A 28 . 11.938 31.535 5.464 1.00 12.63 . 1 216 28 ATOM C CB ALA A 28 . 12.794 29.256 6.799 1.00 11.29 . 1 217 29 ATOM N N ASP A 29 . 9.932 30.426 5.493 1.00 12.83 . 1 218 29 ATOM C CA ASP A 29 . 9.261 31.774 5.451 1.00 13.20 . 1 219 29 ATOM C C ASP A 29 . 9.520 32.544 6.764 1.00 14.95 . 1 220 29 ATOM O O ASP A 29 . 9.432 33.786 6.722 1.00 13.87 . 1 221 29 ATOM C CB ASP A 29 . 7.775 31.547 5.327 1.00 12.85 . 1 222 29 ATOM C CG ASP A 29 . 7.323 30.882 4.088 1.00 14.05 . 1 223 29 ATOM O OD1 ASP A 29 . 6.255 30.293 4.267 1.00 15.02 . 1 224 29 ATOM O OD2 ASP A 29 . 8.012 30.955 3.055 1.00 13.17 . 1 225 30 ATOM N N ASP A 30 . 9.596 31.762 7.842 1.00 15.74 . 1 226 30 ATOM C CA ASP A 30 . 9.701 32.290 9.183 1.00 18.14 . 1 227 30 ATOM C C ASP A 30 . 10.835 31.672 10.001 1.00 17.30 . 1 228 30 ATOM O O ASP A 30 . 11.372 30.648 9.676 1.00 18.09 . 1 229 30 ATOM C CB ASP A 30 . 8.385 32.065 10.007 1.00 19.67 . 1 230 30 ATOM C CG ASP A 30 . 7.172 32.604 9.296 1.00 21.52 . 1 231 30 ATOM O OD1 ASP A 30 . 7.146 33.849 8.957 1.00 22.81 . 1 232 30 ATOM O OD2 ASP A 30 . 6.318 31.717 9.094 1.00 22.06 . 1 233 31 ATOM N N THR A 31 . 11.199 32.465 11.005 1.00 16.67 . 1 234 31 ATOM C CA THR A 31 . 12.298 32.063 11.920 1.00 15.56 . 1 235 31 ATOM C C THR A 31 . 11.648 31.144 12.944 1.00 16.06 . 1 236 31 ATOM O O THR A 31 . 10.620 31.480 13.565 1.00 15.68 . 1 237 31 ATOM C CB THR A 31 . 12.896 33.375 12.523 1.00 14.85 . 1 238 31 ATOM O OG1 THR A 31 . 13.396 34.062 11.340 1.00 14.67 . 1 239 31 ATOM C CG2 THR A 31 . 13.939 33.206 13.632 1.00 14.90 . 1 240 32 ATOM N N VAL A 32 . 12.304 29.993 13.133 1.00 16.03 . 1 241 32 ATOM C CA VAL A 32 . 11.805 29.029 14.119 1.00 15.27 . 1 242 32 ATOM C C VAL A 32 . 12.974 28.679 15.044 1.00 16.12 . 1 243 32 ATOM O O VAL A 32 . 13.993 28.207 14.489 1.00 16.22 . 1 244 32 ATOM C CB VAL A 32 . 11.280 27.739 13.447 1.00 15.73 . 1 245 32 ATOM C CG1 VAL A 32 . 10.675 26.846 14.525 1.00 15.44 . 1 246 32 ATOM C CG2 VAL A 32 . 10.441 27.985 12.261 1.00 15.05 . 1 247 33 ATOM N N LEU A 33 . 12.768 28.928 16.306 1.00 16.25 . 1 248 33 ATOM C CA LEU A 33 . 13.809 28.635 17.312 1.00 17.39 . 1 249 33 ATOM C C LEU A 33 . 13.497 27.405 18.124 1.00 17.74 . 1 250 33 ATOM O O LEU A 33 . 12.347 26.949 18.210 1.00 16.67 . 1 251 33 ATOM C CB LEU A 33 . 13.899 29.926 18.153 1.00 18.28 . 1 252 33 ATOM C CG LEU A 33 . 14.688 31.053 17.477 1.00 18.16 . 1 253 33 ATOM C CD1 LEU A 33 . 15.313 31.854 18.624 1.00 18.33 . 1 254 33 ATOM C CD2 LEU A 33 . 15.837 30.509 16.651 1.00 17.37 . 1 255 34 ATOM N N GLU A 34 . 14.546 26.796 18.676 1.00 18.95 . 1 256 34 ATOM C CA GLU A 34 . 14.268 25.576 19.490 1.00 20.17 . 1 257 34 ATOM C C GLU A 34 . 13.627 26.085 20.782 1.00 20.65 . 1 258 34 ATOM O O GLU A 34 . 13.859 27.258 21.122 1.00 17.69 . 1 259 34 ATOM C CB GLU A 34 . 15.603 24.881 19.742 1.00 21.58 . 1 260 34 ATOM C CG GLU A 34 . 16.195 24.214 18.443 1.00 23.61 . 1 261 34 ATOM C CD GLU A 34 . 17.535 23.626 18.766 1.00 25.21 . 1 262 34 ATOM O OE1 GLU A 34 . 17.894 23.582 19.939 1.00 26.57 . 1 263 34 ATOM O OE2 GLU A 34 . 18.232 23.204 17.854 1.00 26.53 . 1 264 35 ATOM N N GLU A 35 . 12.831 25.264 21.421 1.00 21.71 . 1 265 35 ATOM C CA GLU A 35 . 12.126 25.524 22.655 1.00 24.32 . 1 266 35 ATOM C C GLU A 35 . 12.816 26.402 23.681 1.00 24.95 . 1 267 35 ATOM O O GLU A 35 . 13.893 26.065 24.162 1.00 25.78 . 1 268 35 ATOM C CB GLU A 35 . 11.949 24.199 23.453 1.00 25.93 . 1 269 35 ATOM C CG GLU A 35 . 10.616 24.086 24.154 1.00 27.79 . 1 270 35 ATOM C CD GLU A 35 . 9.440 24.404 23.267 1.00 29.49 . 1 271 35 ATOM O OE1 GLU A 35 . 8.721 25.381 23.418 1.00 30.08 . 1 272 35 ATOM O OE2 GLU A 35 . 9.346 23.546 22.355 1.00 30.04 . 1 273 36 ATOM N N MET A 36 . 12.175 27.467 24.072 1.00 25.31 . 1 274 36 ATOM C CA MET A 36 . 12.663 28.435 25.016 1.00 27.06 . 1 275 36 ATOM C C MET A 36 . 11.512 29.390 25.350 1.00 28.17 . 1 276 36 ATOM O O MET A 36 . 10.564 29.605 24.578 1.00 27.54 . 1 277 36 ATOM C CB MET A 36 . 13.840 29.260 24.423 1.00 27.54 . 1 278 36 ATOM C CG MET A 36 . 13.348 30.196 23.369 1.00 27.84 . 1 279 36 ATOM S SD MET A 36 . 14.755 31.141 22.671 1.00 29.46 . 1 280 36 ATOM C CE MET A 36 . 15.424 31.910 24.125 1.00 29.05 . 1 281 37 ATOM N N ASN A 37 . 11.740 29.961 26.508 1.00 29.93 . 1 282 37 ATOM C CA ASN A 37 . 10.858 30.963 27.104 1.00 31.75 . 1 283 37 ATOM C C ASN A 37 . 11.311 32.359 26.649 1.00 31.72 . 1 284 37 ATOM O O ASN A 37 . 12.461 32.803 26.819 1.00 31.94 . 1 285 37 ATOM C CB ASN A 37 . 10.854 30.860 28.644 1.00 33.85 . 1 286 37 ATOM C CG ASN A 37 . 9.695 31.755 29.098 1.00 35.30 . 1 287 37 ATOM O OD1 ASN A 37 . 9.937 32.716 29.847 1.00 36.50 . 1 288 37 ATOM N ND2 ASN A 37 . 8.535 31.421 28.494 1.00 35.68 . 1 289 38 ATOM N N LEU A 38 . 10.375 32.996 26.005 1.00 31.63 . 1 290 38 ATOM C CA LEU A 38 . 10.479 34.332 25.463 1.00 31.98 . 1 291 38 ATOM C C LEU A 38 . 9.315 35.056 26.164 1.00 32.92 . 1 292 38 ATOM O O LEU A 38 . 8.240 34.465 26.282 1.00 34.03 . 1 293 38 ATOM C CB LEU A 38 . 10.282 34.338 23.965 1.00 31.16 . 1 294 38 ATOM C CG LEU A 38 . 11.447 34.110 23.051 1.00 30.58 . 1 295 38 ATOM C CD1 LEU A 38 . 11.006 34.240 21.597 1.00 30.94 . 1 296 38 ATOM C CD2 LEU A 38 . 12.485 35.188 23.396 1.00 30.77 . 1 297 39 ATOM N N PRO A 39 . 9.573 36.268 26.521 1.00 33.79 . 1 298 39 ATOM C CA PRO A 39 . 8.561 37.096 27.206 1.00 33.99 . 1 299 39 ATOM C C PRO A 39 . 7.556 37.630 26.204 1.00 33.84 . 1 300 39 ATOM O O PRO A 39 . 7.757 37.753 24.993 1.00 33.92 . 1 301 39 ATOM C CB PRO A 39 . 9.407 38.177 27.871 1.00 34.32 . 1 302 39 ATOM C CG PRO A 39 . 10.806 37.557 27.916 1.00 34.46 . 1 303 39 ATOM C CD PRO A 39 . 10.873 36.971 26.456 1.00 34.11 . 1 304 40 ATOM N N GLY A 40 . 6.408 37.970 26.772 1.00 33.85 . 1 305 40 ATOM C CA GLY A 40 . 5.318 38.535 25.889 1.00 34.05 . 1 306 40 ATOM C C GLY A 40 . 4.340 37.343 25.711 1.00 33.27 . 1 307 40 ATOM O O GLY A 40 . 4.686 36.199 26.044 1.00 33.54 . 1 308 41 ATOM N N ARG A 41 . 3.191 37.724 25.200 1.00 32.11 . 1 309 41 ATOM C CA ARG A 41 . 2.136 36.716 24.968 1.00 31.32 . 1 310 41 ATOM C C ARG A 41 . 2.433 36.052 23.634 1.00 30.40 . 1 311 41 ATOM O O ARG A 41 . 3.173 36.617 22.789 1.00 29.63 . 1 312 41 ATOM C CB ARG A 41 . 0.790 37.415 25.038 1.00 31.99 . 1 313 42 ATOM N N TRP A 42 . 1.851 34.881 23.451 1.00 29.89 . 1 320 42 ATOM C CA TRP A 42 . 2.050 34.133 22.196 1.00 29.16 . 1 321 42 ATOM C C TRP A 42 . 0.764 33.505 21.697 1.00 28.78 . 1 322 42 ATOM O O TRP A 42 . -0.276 33.358 22.390 1.00 29.53 . 1 323 42 ATOM C CB TRP A 42 . 3.174 33.113 22.367 1.00 30.16 . 1 324 42 ATOM C CG TRP A 42 . 2.820 32.156 23.458 1.00 30.80 . 1 325 42 ATOM C CD1 TRP A 42 . 3.148 32.244 24.771 1.00 31.00 . 1 326 42 ATOM C CD2 TRP A 42 . 1.994 30.994 23.320 1.00 31.20 . 1 327 42 ATOM N NE1 TRP A 42 . 2.596 31.192 25.458 1.00 31.28 . 1 328 42 ATOM C CE2 TRP A 42 . 1.873 30.421 24.594 1.00 31.21 . 1 329 42 ATOM C CE3 TRP A 42 . 1.320 30.420 22.248 1.00 31.58 . 1 330 42 ATOM C CZ2 TRP A 42 . 1.139 29.268 24.817 1.00 31.43 . 1 331 42 ATOM C CZ3 TRP A 42 . 0.596 29.261 22.471 1.00 31.97 . 1 332 42 ATOM C CH2 TRP A 42 . 0.502 28.694 23.749 1.00 31.22 . 1 333 43 ATOM N N LYS A 43 . 0.852 33.141 20.432 1.00 26.73 . 1 334 43 ATOM C CA LYS A 43 . -0.252 32.491 19.704 1.00 25.46 . 1 335 43 ATOM C C LYS A 43 . 0.293 31.209 19.061 1.00 24.26 . 1 336 43 ATOM O O LYS A 43 . 1.387 31.215 18.513 1.00 23.71 . 1 337 43 ATOM C CB LYS A 43 . -0.846 33.471 18.706 1.00 25.18 . 1 338 44 ATOM N N PRO A 44 . -0.504 30.161 19.131 1.00 23.69 . 1 343 44 ATOM C CA PRO A 44 . -0.173 28.865 18.548 1.00 22.30 . 1 344 44 ATOM C C PRO A 44 . -0.386 28.987 17.043 1.00 21.70 . 1 345 44 ATOM O O PRO A 44 . -1.291 29.612 16.492 1.00 22.06 . 1 346 44 ATOM C CB PRO A 44 . -1.154 27.891 19.187 1.00 22.67 . 1 347 44 ATOM C CG PRO A 44 . -2.350 28.706 19.587 1.00 22.69 . 1 348 44 ATOM C CD PRO A 44 . -1.842 30.116 19.773 1.00 23.91 . 1 349 45 ATOM N N LYS A 45 . 0.467 28.313 16.364 1.00 20.15 1 1 350 45 ATOM C CA LYS A 45 . 0.561 28.262 14.915 1.00 18.74 1 1 351 45 ATOM C C LYS A 45 . 1.132 26.887 14.621 1.00 17.71 1 1 352 45 ATOM O O LYS A 45 . 1.716 26.281 15.537 1.00 17.52 1 1 353 45 ATOM C CB LYS A 45 . 1.617 29.306 14.471 1.00 18.96 1 1 354 45 ATOM C CG LYS A 45 . 1.544 29.549 12.992 1.00 18.72 1 1 355 45 ATOM C CD LYS A 45 . 2.543 30.574 12.490 1.00 20.05 1 1 356 45 ATOM C CE LYS A 45 . 2.075 31.154 11.154 1.00 19.91 1 1 357 45 ATOM N NZ LYS A 45 1 1.384 32.469 11.471 0.50 20.17 1 1 358 45 ATOM N NZ LYS A 45 2 3.340 31.578 10.427 0.50 19.50 1 1 359 46 ATOM N N MET A 46 . 0.886 26.476 13.434 1.00 18.14 . 1 360 46 ATOM C CA MET A 46 . 1.338 25.238 12.847 1.00 18.68 . 1 361 46 ATOM C C MET A 46 . 2.216 25.633 11.640 1.00 17.05 . 1 362 46 ATOM O O MET A 46 . 1.721 26.404 10.804 1.00 15.77 . 1 363 46 ATOM C CB MET A 46 . 0.153 24.373 12.316 1.00 20.79 . 1 364 46 ATOM C CG MET A 46 . -0.727 23.908 13.480 1.00 22.75 . 1 365 46 ATOM S SD MET A 46 . 0.114 22.441 14.148 1.00 25.84 . 1 366 46 ATOM C CE MET A 46 . -0.455 21.215 12.936 1.00 25.26 . 1 367 47 ATOM N N ILE A 47 . 3.397 25.011 11.602 1.00 16.08 . 1 368 47 ATOM C CA ILE A 47 . 4.280 25.251 10.429 1.00 15.51 . 1 369 47 ATOM C C ILE A 47 . 4.652 23.907 9.842 1.00 14.95 . 1 370 47 ATOM O O ILE A 47 . 4.891 22.937 10.556 1.00 16.05 . 1 371 47 ATOM C CB ILE A 47 . 5.563 26.077 10.784 1.00 15.23 . 1 372 47 ATOM C CG1 ILE A 47 . 6.377 25.267 11.810 0.58 14.51 . 1 373 47 ATOM C CG2 ILE A 47 . 5.166 27.506 11.220 0.58 15.19 . 1 374 47 ATOM C CD1 ILE A 47 . 7.617 26.010 12.376 0.58 14.76 . 1 375 48 ATOM N N GLY A 48 . 4.759 23.842 8.555 1.00 15.31 . 1 376 48 ATOM C CA GLY A 48 . 5.051 22.587 7.866 1.00 15.20 . 1 377 48 ATOM C C GLY A 48 . 6.350 22.578 7.150 1.00 15.08 . 1 378 48 ATOM O O GLY A 48 . 7.037 23.583 7.040 1.00 15.21 . 1 379 49 ATOM N N GLY A 49 . 6.614 21.385 6.661 1.00 16.23 . 1 380 49 ATOM C CA GLY A 49 . 7.841 21.161 5.884 1.00 17.67 . 1 381 49 ATOM C C GLY A 49 . 7.988 19.681 5.597 1.00 17.69 . 1 382 49 ATOM O O GLY A 49 . 6.975 18.974 5.488 1.00 17.48 . 1 383 50 ATOM N N ILE A 50 . 9.289 19.352 5.446 1.00 17.37 . 1 384 50 ATOM C CA ILE A 50 . 9.560 17.928 5.178 1.00 18.18 . 1 385 50 ATOM C C ILE A 50 . 9.239 17.189 6.471 1.00 17.70 . 1 386 50 ATOM O O ILE A 50 . 9.666 17.620 7.586 1.00 16.29 . 1 387 50 ATOM C CB ILE A 50 . 10.977 17.667 4.602 1.00 18.88 . 1 388 50 ATOM C CG1 ILE A 50 . 10.918 18.082 3.089 1.00 19.28 . 1 389 50 ATOM C CG2 ILE A 50 . 11.458 16.191 4.737 1.00 18.58 . 1 390 50 ATOM C CD1 ILE A 50 . 12.128 17.635 2.250 1.00 20.12 . 1 391 51 ATOM N N GLY A 51 . 8.375 16.183 6.285 1.00 17.62 . 1 392 51 ATOM C CA GLY A 51 . 7.984 15.371 7.445 1.00 18.36 . 1 393 51 ATOM C C GLY A 51 . 6.648 15.835 8.044 1.00 18.86 . 1 394 51 ATOM O O GLY A 51 . 6.244 15.210 9.056 1.00 19.97 . 1 395 52 ATOM N N GLY A 52 . 6.082 16.910 7.545 1.00 18.41 . 1 396 52 ATOM C CA GLY A 52 . 4.768 17.350 8.081 1.00 17.63 . 1 397 52 ATOM C C GLY A 52 . 4.799 18.606 8.901 1.00 17.21 . 1 398 52 ATOM O O GLY A 52 . 5.643 19.459 8.710 1.00 17.77 . 1 399 53 ATOM N N PHE A 53 . 3.857 18.777 9.803 1.00 17.06 . 1 400 53 ATOM C CA PHE A 53 . 3.659 19.944 10.621 1.00 16.21 . 1 401 53 ATOM C C PHE A 53 . 3.986 19.797 12.069 1.00 16.94 . 1 402 53 ATOM O O PHE A 53 . 3.749 18.713 12.640 1.00 18.11 . 1 403 53 ATOM C CB PHE A 53 . 2.147 20.375 10.434 1.00 15.36 . 1 404 53 ATOM C CG PHE A 53 . 1.902 21.022 9.109 1.00 14.60 . 1 405 53 ATOM C CD1 PHE A 53 . 1.916 22.419 9.030 1.00 14.82 . 1 406 53 ATOM C CD2 PHE A 53 . 1.666 20.319 7.938 1.00 14.66 . 1 407 53 ATOM C CE1 PHE A 53 . 1.753 23.132 7.876 1.00 14.27 . 1 408 53 ATOM C CE2 PHE A 53 . 1.421 21.005 6.746 1.00 14.55 . 1 409 53 ATOM C CZ PHE A 53 . 1.477 22.395 6.679 1.00 15.20 . 1 410 54 ATOM N N ILE A 54 . 4.547 20.837 12.677 1.00 16.72 . 1 411 54 ATOM C CA ILE A 54 . 4.823 20.962 14.088 1.00 15.86 . 1 412 54 ATOM C C ILE A 54 . 3.996 22.223 14.569 1.00 15.61 . 1 413 54 ATOM O O ILE A 54 . 3.656 23.077 13.762 1.00 14.25 . 1 414 54 ATOM C CB ILE A 54 . 6.280 21.089 14.595 1.00 16.14 . 1 415 54 ATOM C CG1 ILE A 54 . 7.002 22.293 13.930 1.00 16.67 . 1 416 54 ATOM C CG2 ILE A 54 . 7.062 19.747 14.346 1.00 16.15 . 1 417 54 ATOM C CD1 ILE A 54 . 8.451 22.497 14.497 1.00 14.90 . 1 418 55 ATOM N N LYS A 55 . 3.630 22.198 15.804 1.00 15.82 1 1 419 55 ATOM C CA LYS A 55 . 2.863 23.268 16.477 1.00 16.48 1 1 420 55 ATOM C C LYS A 55 . 3.960 24.146 17.128 1.00 16.51 1 1 421 55 ATOM O O LYS A 55 . 4.856 23.482 17.691 1.00 17.59 1 1 422 55 ATOM C CB LYS A 55 . 2.048 22.696 17.651 1.00 17.18 1 1 423 55 ATOM C CG LYS A 55 . 1.071 23.790 18.143 1.00 18.91 1 1 424 55 ATOM C CD LYS A 55 . 0.128 23.336 19.245 1.00 20.87 1 1 425 55 ATOM C CE LYS A 55 . -0.256 24.559 20.121 1.00 21.44 1 1 426 55 ATOM N NZ LYS A 55 1 -1.012 24.096 21.310 0.50 20.96 1 1 427 55 ATOM N NZ LYS A 55 2 0.962 25.220 20.720 0.50 21.43 1 1 428 56 ATOM N N VAL A 56 . 3.868 25.427 17.009 1.00 15.69 . 1 429 56 ATOM C CA VAL A 56 . 4.892 26.333 17.570 1.00 17.12 . 1 430 56 ATOM C C VAL A 56 . 4.123 27.490 18.257 1.00 17.53 . 1 431 56 ATOM O O VAL A 56 . 2.929 27.646 17.975 1.00 18.11 . 1 432 56 ATOM C CB VAL A 56 . 5.809 26.863 16.444 1.00 15.50 . 1 433 56 ATOM C CG1 VAL A 56 . 6.738 25.911 15.766 1.00 14.44 . 1 434 56 ATOM C CG2 VAL A 56 . 4.926 27.505 15.326 1.00 16.00 . 1 435 57 ATOM N N ARG A 57 . 4.827 28.206 19.087 1.00 18.25 . 1 436 57 ATOM C CA ARG A 57 . 4.231 29.416 19.741 1.00 19.95 . 1 437 57 ATOM C C ARG A 57 . 4.812 30.605 18.969 1.00 20.13 . 1 438 57 ATOM O O ARG A 57 . 6.046 30.636 18.785 1.00 19.68 . 1 439 57 ATOM C CB ARG A 57 . 4.657 29.451 21.198 1.00 21.28 . 1 440 57 ATOM C CG ARG A 57 . 4.380 28.197 21.953 1.00 23.47 . 1 441 57 ATOM C CD ARG A 57 . 4.465 28.305 23.432 1.00 25.56 . 1 442 57 ATOM N NE ARG A 57 . 5.715 28.932 23.880 1.00 27.80 . 1 443 57 ATOM C CZ ARG A 57 . 6.812 28.137 24.096 1.00 28.43 . 1 444 57 ATOM N NH1 ARG A 57 . 6.760 26.823 23.913 1.00 28.11 . 1 445 57 ATOM N NH2 ARG A 57 . 7.904 28.751 24.544 1.00 28.58 . 1 446 58 ATOM N N GLN A 58 . 3.988 31.488 18.478 1.00 19.56 . 1 447 58 ATOM C CA GLN A 58 . 4.457 32.656 17.734 1.00 20.94 . 1 448 58 ATOM C C GLN A 58 . 4.566 33.901 18.628 1.00 21.51 . 1 449 58 ATOM O O GLN A 58 . 3.506 34.267 19.237 1.00 21.40 . 1 450 58 ATOM C CB GLN A 58 . 3.336 32.996 16.697 1.00 21.47 . 1 451 58 ATOM C CG GLN A 58 . 3.652 34.356 16.114 1.00 22.85 . 1 452 58 ATOM C CD GLN A 58 . 2.444 34.781 15.294 1.00 24.11 . 1 453 58 ATOM O OE1 GLN A 58 . 1.936 33.927 14.593 1.00 23.82 . 1 454 58 ATOM N NE2 GLN A 58 . 2.127 36.073 15.528 1.00 24.80 . 1 455 59 ATOM N N TYR A 59 . 5.706 34.528 18.646 1.00 21.12 . 1 456 59 ATOM C CA TYR A 59 . 5.965 35.761 19.406 1.00 21.45 . 1 457 59 ATOM C C TYR A 59 . 6.272 36.838 18.328 1.00 22.14 . 1 458 59 ATOM O O TYR A 59 . 7.006 36.623 17.358 1.00 21.05 . 1 459 59 ATOM C CB TYR A 59 . 7.090 35.695 20.419 1.00 21.51 . 1 460 59 ATOM C CG TYR A 59 . 7.003 34.697 21.532 1.00 22.39 . 1 461 59 ATOM C CD1 TYR A 59 . 7.190 33.339 21.273 1.00 23.04 . 1 462 59 ATOM C CD2 TYR A 59 . 6.724 35.048 22.852 1.00 22.15 . 1 463 59 ATOM C CE1 TYR A 59 . 7.180 32.354 22.249 1.00 23.25 . 1 464 59 ATOM C CE2 TYR A 59 . 6.663 34.090 23.848 1.00 23.28 . 1 465 59 ATOM C CZ TYR A 59 . 6.894 32.748 23.564 1.00 23.57 . 1 466 59 ATOM O OH TYR A 59 . 6.842 31.812 24.565 1.00 24.25 . 1 467 60 ATOM N N ASP A 60 . 5.654 37.983 18.566 1.00 22.88 1 1 468 60 ATOM C CA ASP A 60 . 5.773 39.112 17.623 1.00 23.04 1 1 469 60 ATOM C C ASP A 60 . 6.809 40.079 18.168 1.00 23.93 1 1 470 60 ATOM O O ASP A 60 . 7.143 40.135 19.382 1.00 23.53 1 1 471 60 ATOM C CB ASP A 60 . 4.408 39.636 17.234 1.00 23.85 1 1 472 60 ATOM C CG ASP A 60 . 3.561 38.575 16.542 1.00 24.81 1 1 473 60 ATOM O OD1 ASP A 60 1 4.102 37.830 15.703 0.50 24.83 1 1 474 60 ATOM O OD1 ASP A 60 2 2.870 37.752 17.190 0.50 24.23 1 1 475 60 ATOM O OD2 ASP A 60 1 2.347 38.524 16.845 0.50 25.03 1 1 476 60 ATOM O OD2 ASP A 60 2 3.629 38.523 15.288 0.50 24.82 1 1 477 61 ATOM N N GLN A 61 . 7.366 40.798 17.208 1.00 24.52 . 1 478 61 ATOM C CA GLN A 61 . 8.380 41.814 17.473 1.00 25.25 . 1 479 61 ATOM C C GLN A 61 . 9.396 41.408 18.516 1.00 25.33 . 1 480 61 ATOM O O GLN A 61 . 9.547 42.097 19.555 1.00 26.21 . 1 481 61 ATOM C CB GLN A 61 . 7.663 43.123 17.891 1.00 25.04 . 1 482 62 ATOM N N ILE A 62 . 10.174 40.390 18.234 1.00 24.79 . 1 487 62 ATOM C CA ILE A 62 . 11.290 39.938 19.069 1.00 24.35 . 1 488 62 ATOM C C ILE A 62 . 12.529 40.568 18.401 1.00 25.53 . 1 489 62 ATOM O O ILE A 62 . 12.522 40.624 17.164 1.00 24.83 . 1 490 62 ATOM C CB ILE A 62 . 11.436 38.392 19.094 1.00 23.90 . 1 491 62 ATOM C CG1 ILE A 62 . 10.111 37.754 19.605 1.00 23.49 . 1 492 62 ATOM C CG2 ILE A 62 . 12.656 37.897 19.907 1.00 24.00 . 1 493 62 ATOM C CD1 ILE A 62 . 9.775 38.162 21.061 1.00 23.66 . 1 494 63 ATOM N N LEU A 63 . 13.509 40.932 19.213 1.00 26.46 . 1 495 63 ATOM C CA LEU A 63 . 14.757 41.514 18.644 1.00 27.64 . 1 496 63 ATOM C C LEU A 63 . 15.820 40.418 18.616 1.00 27.70 . 1 497 63 ATOM O O LEU A 63 . 15.940 39.679 19.603 1.00 28.48 . 1 498 63 ATOM C CB LEU A 63 . 15.127 42.767 19.422 1.00 28.06 . 1 499 63 ATOM C CG LEU A 63 . 16.594 43.258 19.299 1.00 28.84 . 1 500 63 ATOM C CD1 LEU A 63 . 16.821 44.055 18.046 1.00 28.94 . 1 501 63 ATOM C CD2 LEU A 63 . 16.911 44.081 20.553 1.00 28.74 . 1 502 64 ATOM N N ILE A 64 . 16.476 40.236 17.519 1.00 28.25 . 1 503 64 ATOM C CA ILE A 64 . 17.535 39.224 17.355 1.00 29.07 . 1 504 64 ATOM C C ILE A 64 . 18.682 39.991 16.663 1.00 28.92 . 1 505 64 ATOM O O ILE A 64 . 18.378 40.871 15.855 1.00 28.74 . 1 506 64 ATOM C CB ILE A 64 . 17.147 37.976 16.501 1.00 29.99 . 1 507 64 ATOM C CG1 ILE A 64 . 16.009 37.142 17.171 1.00 30.07 . 1 508 64 ATOM C CG2 ILE A 64 . 18.327 37.006 16.185 1.00 29.52 . 1 509 64 ATOM C CD1 ILE A 64 . 16.136 35.637 16.689 1.00 30.99 . 1 510 65 ATOM N N GLU A 65 . 19.870 39.613 17.048 1.00 29.52 1 1 511 65 ATOM C CA GLU A 65 . 21.051 40.198 16.396 1.00 30.85 1 1 512 65 ATOM C C GLU A 65 . 21.634 39.023 15.606 1.00 31.11 1 1 513 65 ATOM O O GLU A 65 . 22.010 38.060 16.274 1.00 31.04 1 1 514 65 ATOM C CB GLU A 65 . 22.136 40.643 17.356 1.00 31.48 1 1 515 65 ATOM C CG GLU A 65 . 21.577 41.412 18.556 1.00 32.98 1 1 516 65 ATOM C CD GLU A 65 . 22.600 42.252 19.267 1.00 33.87 1 1 517 65 ATOM O OE1 GLU A 65 1 23.635 42.612 18.714 0.50 34.01 1 1 518 65 ATOM O OE1 GLU A 65 2 22.248 43.334 19.761 0.50 34.21 1 1 519 65 ATOM O OE2 GLU A 65 1 22.289 42.495 20.458 0.50 34.29 1 1 520 65 ATOM O OE2 GLU A 65 2 23.736 41.743 19.294 0.50 33.46 1 1 521 66 ATOM N N ILE A 66 . 21.635 39.172 14.309 1.00 32.12 . 1 522 66 ATOM C CA ILE A 66 . 22.213 38.125 13.461 1.00 33.09 . 1 523 66 ATOM C C ILE A 66 . 23.566 38.609 12.974 1.00 34.70 . 1 524 66 ATOM O O ILE A 66 . 23.662 39.531 12.131 1.00 34.48 . 1 525 66 ATOM C CB ILE A 66 . 21.222 37.773 12.318 1.00 32.75 . 1 526 66 ATOM C CG1 ILE A 66 . 19.881 37.306 12.931 1.00 32.41 . 1 527 66 ATOM C CG2 ILE A 66 . 21.796 36.757 11.289 1.00 32.87 . 1 528 66 ATOM C CD1 ILE A 66 . 18.750 38.355 12.759 1.00 32.51 . 1 529 67 ATOM N N CYS A 67 . 24.610 37.956 13.518 1.00 36.68 . 1 530 67 ATOM C CA CYS A 67 . 25.956 38.362 13.059 1.00 38.17 . 1 531 67 ATOM C C CYS A 67 . 26.146 39.856 13.300 1.00 38.24 . 1 532 67 ATOM O O CYS A 67 . 26.629 40.573 12.380 1.00 38.46 . 1 533 67 ATOM C CB CYS A 67 . 25.989 38.139 11.530 1.00 39.41 . 1 534 67 ATOM S SG CYS A 67 . 26.693 36.561 11.068 1.00 42.91 . 1 535 68 ATOM N N GLY A 68 . 25.750 40.298 14.488 1.00 37.96 . 1 536 68 ATOM C CA GLY A 68 . 25.925 41.684 14.855 1.00 37.56 . 1 537 68 ATOM C C GLY A 68 . 24.822 42.611 14.454 1.00 37.54 . 1 538 68 ATOM O O GLY A 68 . 24.634 43.581 15.226 1.00 38.20 . 1 539 69 ATOM N N HIS A 69 . 24.117 42.349 13.366 1.00 37.50 . 1 540 69 ATOM C CA HIS A 69 . 23.010 43.242 12.972 1.00 37.07 . 1 541 69 ATOM C C HIS A 69 . 21.717 42.904 13.707 1.00 36.60 . 1 542 69 ATOM O O HIS A 69 . 21.386 41.733 13.901 1.00 37.04 . 1 543 69 ATOM C CB HIS A 69 . 22.661 43.274 11.481 1.00 37.61 . 1 544 69 ATOM C CG HIS A 69 . 23.858 43.053 10.618 1.00 38.19 . 1 545 69 ATOM N ND1 HIS A 69 . 24.819 42.127 10.896 1.00 38.39 . 1 546 69 ATOM C CD2 HIS A 69 . 24.209 43.648 9.451 1.00 38.48 . 1 547 69 ATOM C CE1 HIS A 69 . 25.736 42.163 9.934 1.00 38.85 . 1 548 69 ATOM N NE2 HIS A 69 . 25.395 43.082 9.056 1.00 38.73 . 1 549 70 ATOM N N LYS A 70 . 20.986 43.973 14.016 1.00 35.65 . 1 550 70 ATOM C CA LYS A 70 . 19.706 43.879 14.709 1.00 34.21 . 1 551 70 ATOM C C LYS A 70 . 18.566 43.762 13.710 1.00 32.44 . 1 552 70 ATOM O O LYS A 70 . 18.528 44.296 12.590 1.00 31.97 . 1 553 70 ATOM C CB LYS A 70 . 19.506 45.007 15.712 1.00 35.52 . 1 554 70 ATOM C CG LYS A 70 . 20.549 44.941 16.826 1.00 36.50 . 1 555 70 ATOM C CD LYS A 70 . 20.291 46.034 17.870 1.00 37.60 . 1 556 70 ATOM C CE LYS A 70 . 21.413 46.176 18.886 1.00 37.90 . 1 557 70 ATOM N NZ LYS A 70 . 22.506 47.064 18.408 1.00 37.72 . 1 558 71 ATOM N N ALA A 71 . 17.631 42.924 14.148 1.00 29.88 . 1 559 71 ATOM C CA ALA A 71 . 16.433 42.630 13.359 1.00 27.38 . 1 560 71 ATOM C C ALA A 71 . 15.252 42.431 14.299 1.00 25.84 . 1 561 71 ATOM O O ALA A 71 . 15.399 41.854 15.404 1.00 26.35 . 1 562 71 ATOM C CB ALA A 71 . 16.756 41.447 12.463 1.00 26.59 . 1 563 72 ATOM N N ILE A 72 . 14.085 42.922 13.900 1.00 23.05 . 1 564 72 ATOM C CA ILE A 72 . 12.865 42.730 14.707 1.00 21.58 . 1 565 72 ATOM C C ILE A 72 . 11.927 41.910 13.801 1.00 19.40 . 1 566 72 ATOM O O ILE A 72 . 11.829 42.256 12.600 1.00 18.43 . 1 567 72 ATOM C CB ILE A 72 . 12.197 44.026 15.230 1.00 21.40 . 1 568 72 ATOM C CG1 ILE A 72 . 13.196 45.069 15.678 1.00 21.07 . 1 569 72 ATOM C CG2 ILE A 72 . 11.278 43.719 16.437 1.00 21.73 . 1 570 73 ATOM N N GLY A 73 . 11.224 40.980 14.434 1.00 18.42 . 1 572 73 ATOM C CA GLY A 73 . 10.281 40.156 13.675 1.00 17.73 . 1 573 73 ATOM C C GLY A 73 . 9.586 39.106 14.509 1.00 17.21 . 1 574 73 ATOM O O GLY A 73 . 9.753 39.063 15.723 1.00 18.51 . 1 575 74 ATOM N N THR A 74 . 8.779 38.306 13.828 1.00 17.53 . 1 576 74 ATOM C CA THR A 74 . 8.072 37.183 14.441 1.00 17.76 . 1 577 74 ATOM C C THR A 74 . 9.126 36.085 14.619 1.00 18.09 . 1 578 74 ATOM O O THR A 74 . 10.000 35.896 13.766 1.00 18.12 . 1 579 74 ATOM C CB THR A 74 . 6.852 36.621 13.619 1.00 18.64 . 1 580 74 ATOM O OG1 THR A 74 . 5.847 37.672 13.704 1.00 18.99 . 1 581 74 ATOM C CG2 THR A 74 . 6.251 35.291 14.064 1.00 17.64 . 1 582 75 ATOM N N VAL A 75 . 8.922 35.381 15.714 1.00 17.70 . 1 583 75 ATOM C CA VAL A 75 . 9.871 34.310 16.095 1.00 17.07 . 1 584 75 ATOM C C VAL A 75 . 8.964 33.185 16.540 1.00 17.08 . 1 585 75 ATOM O O VAL A 75 . 8.045 33.524 17.295 1.00 17.87 . 1 586 75 ATOM C CB VAL A 75 . 10.748 35.008 17.141 1.00 17.80 . 1 587 75 ATOM C CG1 VAL A 75 . 11.207 34.058 18.214 1.00 18.63 . 1 588 75 ATOM C CG2 VAL A 75 . 11.910 35.759 16.480 1.00 17.67 . 1 589 76 ATOM N N LEU A 76 . 9.053 32.029 15.966 1.00 16.07 . 1 590 76 ATOM C CA LEU A 76 . 8.234 30.857 16.343 1.00 15.28 . 1 591 76 ATOM C C LEU A 76 . 9.194 30.029 17.193 1.00 14.76 . 1 592 76 ATOM O O LEU A 76 . 10.409 30.049 16.899 1.00 15.49 . 1 593 76 ATOM C CB LEU A 76 . 7.813 30.140 15.086 1.00 15.26 . 1 594 76 ATOM C CG LEU A 76 . 7.273 30.943 13.934 1.00 15.36 . 1 595 76 ATOM C CD1 LEU A 76 . 6.870 29.969 12.801 1.00 15.76 . 1 596 76 ATOM C CD2 LEU A 76 . 6.013 31.671 14.391 1.00 13.31 . 1 597 77 ATOM N N VAL A 77 . 8.697 29.331 18.155 1.00 14.11 . 1 598 77 ATOM C CA VAL A 77 . 9.487 28.475 19.069 1.00 13.98 . 1 599 77 ATOM C C VAL A 77 . 8.731 27.139 19.112 1.00 14.47 . 1 600 77 ATOM O O VAL A 77 . 7.482 27.137 19.257 1.00 13.25 . 1 601 77 ATOM C CB VAL A 77 . 9.544 29.155 20.477 1.00 13.82 . 1 602 77 ATOM C CG1 VAL A 77 . 10.125 28.211 21.515 1.00 12.58 . 1 603 77 ATOM C CG2 VAL A 77 . 10.255 30.473 20.346 1.00 12.85 . 1 604 78 ATOM N N GLY A 78 . 9.508 26.071 18.919 1.00 15.74 . 1 605 78 ATOM C CA GLY A 78 . 8.826 24.747 18.832 1.00 15.22 . 1 606 78 ATOM C C GLY A 78 . 9.860 23.651 18.762 1.00 15.91 . 1 607 78 ATOM O O GLY A 78 . 11.063 23.966 18.805 1.00 15.40 . 1 608 79 ATOM N N PRO A 79 . 9.379 22.425 18.600 1.00 16.31 . 1 609 79 ATOM C CA PRO A 79 . 10.284 21.266 18.571 1.00 16.40 . 1 610 79 ATOM C C PRO A 79 . 11.057 21.153 17.304 1.00 16.98 . 1 611 79 ATOM O O PRO A 79 . 11.019 20.063 16.661 1.00 17.81 . 1 612 79 ATOM C CB PRO A 79 . 9.364 20.080 18.874 1.00 16.17 . 1 613 79 ATOM C CG PRO A 79 . 7.998 20.515 18.365 1.00 16.46 . 1 614 79 ATOM C CD PRO A 79 . 7.960 22.043 18.533 1.00 16.29 . 1 615 80 ATOM N N THR A 80 . 11.801 22.172 16.939 1.00 18.08 . 1 616 80 ATOM C CA THR A 80 . 12.617 22.212 15.726 1.00 17.83 . 1 617 80 ATOM C C THR A 80 . 14.006 21.620 16.006 1.00 19.43 . 1 618 80 ATOM O O THR A 80 . 14.625 21.928 17.015 1.00 19.31 . 1 619 80 ATOM C CB THR A 80 . 12.754 23.716 15.222 1.00 17.38 . 1 620 80 ATOM O OG1 THR A 80 . 13.713 23.690 14.103 1.00 16.00 . 1 621 80 ATOM C CG2 THR A 80 . 13.196 24.672 16.299 1.00 16.43 . 1 622 81 ATOM N N PRO A 81 . 14.498 20.824 15.056 1.00 20.69 . 1 623 81 ATOM C CA PRO A 81 . 15.775 20.159 15.164 1.00 21.19 . 1 624 81 ATOM C C PRO A 81 . 16.922 21.144 15.183 1.00 21.69 . 1 625 81 ATOM O O PRO A 81 . 17.980 20.803 15.754 1.00 23.67 . 1 626 81 ATOM C CB PRO A 81 . 15.811 19.219 13.929 1.00 21.78 . 1 627 81 ATOM C CG PRO A 81 . 14.931 19.949 12.941 1.00 21.29 . 1 628 81 ATOM C CD PRO A 81 . 13.765 20.408 13.821 1.00 20.92 . 1 629 82 ATOM N N VAL A 82 . 16.742 22.307 14.619 1.00 21.57 . 1 630 82 ATOM C CA VAL A 82 . 17.847 23.315 14.599 1.00 21.27 . 1 631 82 ATOM C C VAL A 82 . 17.217 24.706 14.647 1.00 20.29 . 1 632 82 ATOM O O VAL A 82 . 16.029 24.794 14.251 1.00 20.63 . 1 633 82 ATOM C CB VAL A 82 . 18.675 23.027 13.341 1.00 21.59 . 1 634 82 ATOM C CG1 VAL A 82 . 17.868 22.982 12.048 1.00 21.38 . 1 635 82 ATOM C CG2 VAL A 82 . 19.757 24.094 13.143 1.00 22.54 . 1 636 83 ATOM N N ASN A 83 . 17.961 25.678 15.091 1.00 18.84 . 1 637 83 ATOM C CA ASN A 83 . 17.457 27.057 15.086 1.00 18.89 . 1 638 83 ATOM C C ASN A 83 . 17.521 27.486 13.606 1.00 17.50 . 1 639 83 ATOM O O ASN A 83 . 18.507 27.222 12.911 1.00 18.18 . 1 640 83 ATOM C CB ASN A 83 . 18.146 28.021 16.032 1.00 18.62 . 1 641 83 ATOM C CG ASN A 83 . 18.114 27.501 17.474 1.00 19.09 . 1 642 83 ATOM O OD1 ASN A 83 . 17.020 27.126 17.923 1.00 19.30 . 1 643 83 ATOM N ND2 ASN A 83 . 19.273 27.484 18.132 1.00 18.32 . 1 644 84 ATOM N N ILE A 84 . 16.430 28.169 13.202 1.00 17.49 . 1 645 84 ATOM C CA ILE A 84 . 16.429 28.575 11.787 1.00 16.90 . 1 646 84 ATOM C C ILE A 84 . 16.055 30.033 11.631 1.00 15.09 . 1 647 84 ATOM O O ILE A 84 . 14.993 30.414 12.094 1.00 15.76 . 1 648 84 ATOM C CB ILE A 84 . 15.490 27.622 10.967 1.00 18.16 . 1 649 84 ATOM C CG1 ILE A 84 . 16.154 26.275 10.583 1.00 18.58 . 1 650 84 ATOM C CG2 ILE A 84 . 15.012 28.298 9.641 1.00 18.19 . 1 651 84 ATOM C CD1 ILE A 84 . 15.084 25.137 10.823 1.00 21.14 . 1 652 85 ATOM N N ILE A 85 . 16.891 30.758 10.918 1.00 14.37 . 1 653 85 ATOM C CA ILE A 85 . 16.625 32.153 10.586 1.00 13.07 . 1 654 85 ATOM C C ILE A 85 . 15.915 32.128 9.207 1.00 12.74 . 1 655 85 ATOM O O ILE A 85 . 16.670 31.851 8.299 1.00 12.12 . 1 656 85 ATOM C CB ILE A 85 . 17.804 33.151 10.521 1.00 11.59 . 1 657 85 ATOM C CG1 ILE A 85 . 18.669 33.018 11.783 1.00 12.38 . 1 658 85 ATOM C CG2 ILE A 85 . 17.250 34.603 10.300 1.00 11.07 . 1 659 85 ATOM C CD1 ILE A 85 . 18.108 33.320 13.158 1.00 11.86 . 1 660 86 ATOM N N GLY A 86 . 14.665 32.590 9.211 1.00 12.31 . 1 661 86 ATOM C CA GLY A 86 . 13.908 32.611 7.947 1.00 12.89 . 1 662 86 ATOM C C GLY A 86 . 13.887 33.979 7.273 1.00 13.14 . 1 663 86 ATOM O O GLY A 86 . 14.493 34.968 7.754 1.00 12.59 . 1 664 87 ATOM N N ARG A 87 . 13.214 33.996 6.147 1.00 12.60 . 1 665 87 ATOM C CA ARG A 87 . 13.090 35.152 5.233 1.00 12.19 . 1 666 87 ATOM C C ARG A 87 . 12.685 36.437 5.919 1.00 13.78 . 1 667 87 ATOM O O ARG A 87 . 13.239 37.530 5.643 1.00 14.60 . 1 668 87 ATOM C CB ARG A 87 . 12.165 34.801 4.058 1.00 11.07 . 1 669 87 ATOM C CG ARG A 87 . 12.845 33.790 3.066 1.00 9.98 . 1 670 87 ATOM C CD ARG A 87 . 12.079 33.857 1.753 1.00 8.59 . 1 671 87 ATOM N NE ARG A 87 . 10.695 33.464 1.981 1.00 8.93 . 1 672 87 ATOM C CZ ARG A 87 . 9.672 34.285 2.136 1.00 9.95 . 1 673 87 ATOM N NH1 ARG A 87 . 8.469 33.825 2.517 1.00 10.84 . 1 674 87 ATOM N NH2 ARG A 87 . 9.826 35.593 2.001 1.00 11.30 . 1 675 88 ATOM N N ASN A 88 . 11.802 36.345 6.865 1.00 14.36 . 1 676 88 ATOM C CA ASN A 88 . 11.249 37.435 7.675 1.00 13.53 . 1 677 88 ATOM C C ASN A 88 . 12.316 38.279 8.351 1.00 13.71 . 1 678 88 ATOM O O ASN A 88 . 12.018 39.489 8.581 1.00 13.96 . 1 679 88 ATOM C CB ASN A 88 . 10.191 36.833 8.609 1.00 12.46 . 1 680 88 ATOM C CG ASN A 88 . 10.640 36.329 9.948 1.00 13.28 . 1 681 88 ATOM O OD1 ASN A 88 . 11.404 35.342 10.060 1.00 14.20 . 1 682 88 ATOM N ND2 ASN A 88 . 10.246 36.937 11.085 1.00 13.18 . 1 683 89 ATOM N N LEU A 89 . 13.431 37.736 8.804 1.00 12.63 . 1 684 89 ATOM C CA LEU A 89 . 14.550 38.372 9.439 1.00 12.09 . 1 685 89 ATOM C C LEU A 89 . 15.707 38.529 8.485 1.00 12.93 . 1 686 89 ATOM O O LEU A 89 . 16.437 39.558 8.631 1.00 14.12 . 1 687 89 ATOM C CB LEU A 89 . 15.016 37.636 10.736 1.00 11.87 . 1 688 89 ATOM C CG LEU A 89 . 13.937 37.636 11.826 1.00 11.46 . 1 689 89 ATOM C CD1 LEU A 89 . 14.392 36.775 13.000 1.00 12.65 . 1 690 89 ATOM C CD2 LEU A 89 . 13.726 39.070 12.233 1.00 11.83 . 1 691 90 ATOM N N LEU A 90 . 15.858 37.640 7.523 1.00 13.26 . 1 692 90 ATOM C CA LEU A 90 . 16.951 37.736 6.539 1.00 13.98 . 1 693 90 ATOM C C LEU A 90 . 16.853 39.038 5.741 1.00 14.35 . 1 694 90 ATOM O O LEU A 90 . 17.849 39.695 5.454 1.00 14.29 . 1 695 90 ATOM C CB LEU A 90 . 16.956 36.494 5.632 1.00 13.80 . 1 696 90 ATOM C CG LEU A 90 . 17.363 35.179 6.261 1.00 13.41 . 1 697 90 ATOM C CD1 LEU A 90 . 17.377 34.046 5.256 1.00 12.77 . 1 698 90 ATOM C CD2 LEU A 90 . 18.776 35.284 6.819 1.00 14.02 . 1 699 91 ATOM N N THR A 91 . 15.642 39.359 5.350 1.00 14.79 . 1 700 91 ATOM C CA THR A 91 . 15.383 40.593 4.616 1.00 15.00 . 1 701 91 ATOM C C THR A 91 . 15.876 41.799 5.437 1.00 15.79 . 1 702 91 ATOM O O THR A 91 . 16.424 42.710 4.859 1.00 15.74 . 1 703 91 ATOM C CB THR A 91 . 13.869 40.751 4.323 1.00 14.45 . 1 704 91 ATOM O OG1 THR A 91 . 13.236 40.737 5.626 1.00 14.17 . 1 705 91 ATOM C CG2 THR A 91 . 13.311 39.798 3.275 1.00 14.30 . 1 706 92 ATOM N N GLN A 92 . 15.633 41.715 6.739 1.00 16.49 . 1 707 92 ATOM C CA GLN A 92 . 15.952 42.771 7.692 1.00 16.68 . 1 708 92 ATOM C C GLN A 92 . 17.393 43.177 7.774 1.00 16.85 . 1 709 92 ATOM O O GLN A 92 . 17.710 44.345 8.116 1.00 14.85 . 1 710 92 ATOM C CB GLN A 92 . 15.244 42.572 9.023 1.00 17.18 . 1 711 92 ATOM C CG GLN A 92 . 13.750 42.564 9.004 1.00 17.04 . 1 712 92 ATOM C CD GLN A 92 . 13.041 43.741 8.353 1.00 16.99 . 1 713 92 ATOM O OE1 GLN A 92 . 12.552 43.716 7.200 1.00 16.12 . 1 714 92 ATOM N NE2 GLN A 92 . 12.991 44.833 9.131 1.00 14.92 . 1 715 93 ATOM N N ILE A 93 . 18.294 42.226 7.572 1.00 17.81 . 1 716 93 ATOM C CA ILE A 93 . 19.718 42.404 7.594 1.00 17.96 . 1 717 93 ATOM C C ILE A 93 . 20.199 42.656 6.156 1.00 17.03 . 1 718 93 ATOM O O ILE A 93 . 21.394 42.854 6.046 1.00 18.32 . 1 719 93 ATOM C CB ILE A 93 . 20.527 41.226 8.226 1.00 18.83 . 1 720 93 ATOM C CG1 ILE A 93 . 20.356 39.920 7.406 1.00 18.95 . 1 721 93 ATOM C CG2 ILE A 93 . 20.156 40.967 9.701 1.00 19.28 . 1 722 93 ATOM C CD1 ILE A 93 . 21.016 38.696 8.159 1.00 18.85 . 1 723 94 ATOM N N GLY A 94 . 19.384 42.626 5.130 1.00 16.71 . 1 724 94 ATOM C CA GLY A 94 . 19.906 42.920 3.781 1.00 16.64 . 1 725 94 ATOM C C GLY A 94 . 20.484 41.676 3.111 1.00 17.66 . 1 726 94 ATOM O O GLY A 94 . 21.274 41.697 2.155 1.00 16.82 . 1 727 95 ATOM N N CYS A 95 . 19.993 40.498 3.579 1.00 17.17 1 1 728 95 ATOM C CA CYS A 95 . 20.463 39.289 2.946 1.00 16.18 1 1 729 95 ATOM C C CYS A 95 . 19.955 39.081 1.532 1.00 16.37 1 1 730 95 ATOM O O CYS A 95 . 18.715 39.214 1.337 1.00 17.18 1 1 731 95 ATOM C CB CYS A 95 . 20.018 38.072 3.771 1.00 15.35 1 1 732 95 ATOM S SG CYS A 95 1 21.054 36.638 3.403 0.50 10.39 1 1 733 95 ATOM S SG CYS A 95 2 21.301 37.595 4.938 0.50 19.65 1 1 734 96 ATOM N N THR A 96 . 20.845 38.701 0.636 1.00 16.30 . 1 735 96 ATOM C CA THR A 96 . 20.506 38.362 -0.735 1.00 16.61 . 1 736 96 ATOM C C THR A 96 . 21.208 37.037 -1.122 1.00 16.83 . 1 737 96 ATOM O O THR A 96 . 22.160 36.561 -0.453 1.00 16.26 . 1 738 96 ATOM C CB THR A 96 . 20.755 39.458 -1.858 1.00 17.13 . 1 739 96 ATOM O OG1 THR A 96 . 22.170 39.633 -1.923 1.00 16.85 . 1 740 96 ATOM C CG2 THR A 96 . 20.075 40.798 -1.716 1.00 17.20 . 1 741 97 ATOM N N LEU A 97 . 20.738 36.469 -2.193 1.00 17.14 1 1 742 97 ATOM C CA LEU A 97 . 21.255 35.231 -2.813 1.00 17.60 1 1 743 97 ATOM C C LEU A 97 . 21.819 35.730 -4.161 1.00 19.21 1 1 744 97 ATOM O O LEU A 97 . 21.096 36.476 -4.853 1.00 18.83 1 1 745 97 ATOM C CB LEU A 97 . 20.107 34.266 -2.978 1.00 17.37 1 1 746 97 ATOM C CG LEU A 97 1 20.234 32.781 -2.846 0.50 17.44 1 1 747 97 ATOM C CG LEU A 97 2 19.442 33.593 -1.824 0.50 16.07 1 1 748 97 ATOM C CD1 LEU A 97 1 20.871 32.351 -1.527 0.50 16.67 1 1 749 97 ATOM C CD1 LEU A 97 2 18.164 32.917 -2.303 0.50 16.28 1 1 750 97 ATOM C CD2 LEU A 97 1 18.813 32.182 -2.935 0.50 17.37 1 1 751 97 ATOM C CD2 LEU A 97 2 20.456 32.565 -1.272 0.50 15.85 1 1 752 98 ATOM N N ASN A 98 . 23.070 35.413 -4.453 1.00 19.55 1 1 753 98 ATOM C CA ASN A 98 . 23.596 35.908 -5.720 1.00 22.38 1 1 754 98 ATOM C C ASN A 98 . 24.252 34.754 -6.509 1.00 22.89 1 1 755 98 ATOM O O ASN A 98 . 24.828 33.870 -5.862 1.00 23.46 1 1 756 98 ATOM C CB ASN A 98 . 24.569 37.075 -5.476 1.00 22.36 1 1 757 98 ATOM C CG ASN A 98 . 24.093 38.200 -4.607 1.00 22.66 1 1 758 98 ATOM O OD1 ASN A 98 1 23.846 38.042 -3.403 0.50 22.83 1 1 759 98 ATOM O OD1 ASN A 98 2 23.329 39.081 -5.048 0.50 22.49 1 1 760 98 ATOM N ND2 ASN A 98 1 24.008 39.411 -5.198 0.50 22.78 1 1 761 98 ATOM N ND2 ASN A 98 2 24.511 38.229 -3.338 0.50 22.51 1 1 762 99 ATOM N N PHE A 99 . 24.154 34.855 -7.809 1.00 23.63 . 1 763 99 ATOM C CA PHE A 99 . 24.853 33.899 -8.704 1.00 25.22 . 1 764 99 ATOM C C PHE A 99 . 24.847 34.401 -10.156 1.00 26.19 . 1 765 99 ATOM O O PHE A 99 . 25.466 33.710 -11.016 1.00 27.66 . 1 766 99 ATOM C CB PHE A 99 . 24.367 32.477 -8.571 1.00 24.13 . 1 767 99 ATOM C CG PHE A 99 . 22.940 32.349 -8.972 1.00 24.41 . 1 768 99 ATOM C CD1 PHE A 99 . 22.578 32.079 -10.293 1.00 23.93 . 1 769 99 ATOM C CD2 PHE A 99 . 21.946 32.555 -8.015 1.00 24.50 . 1 770 99 ATOM C CE1 PHE A 99 . 21.259 31.958 -10.659 1.00 24.18 . 1 771 99 ATOM C CE2 PHE A 99 . 20.595 32.456 -8.376 1.00 24.44 . 1 772 99 ATOM C CZ PHE A 99 . 20.258 32.160 -9.697 1.00 24.41 . 1 773 99 ATOM O OXT PHE A 99 . 24.245 35.433 -10.475 1.00 27.41 . 1 774 #99 # TER . . PHE A 99 . . . . . . . 1 775 1 ATOM N N PRO B 201 . 22.320 36.825 -11.115 1.00 29.93 . 1 776 1 ATOM C CA PRO B 201 . 21.291 37.750 -10.621 1.00 29.61 . 1 777 1 ATOM C C PRO B 201 . 21.462 37.833 -9.111 1.00 28.86 . 1 778 1 ATOM O O PRO B 201 . 22.205 37.010 -8.546 1.00 28.72 . 1 779 1 ATOM C CB PRO B 201 . 19.963 37.069 -10.977 1.00 30.19 . 1 780 1 ATOM C CG PRO B 201 . 20.302 35.583 -10.936 1.00 30.20 . 1 781 1 ATOM C CD PRO B 201 . 21.681 35.562 -11.613 1.00 30.16 . 1 782 2 ATOM N N GLN B 202 . 20.792 38.802 -8.540 1.00 28.10 . 1 783 2 ATOM C CA GLN B 202 . 20.862 38.982 -7.067 1.00 27.32 . 1 784 2 ATOM C C GLN B 202 . 19.400 38.809 -6.641 1.00 26.22 . 1 785 2 ATOM O O GLN B 202 . 18.587 39.513 -7.229 1.00 26.63 . 1 786 2 ATOM C CB GLN B 202 . 21.525 40.238 -6.645 1.00 28.27 . 1 787 2 ATOM C CG GLN B 202 . 20.966 40.871 -5.400 1.00 30.16 . 1 788 2 ATOM C CD GLN B 202 . 21.878 41.939 -4.842 1.00 31.84 . 1 789 2 ATOM O OE1 GLN B 202 . 21.391 42.830 -4.140 1.00 33.03 . 1 790 2 ATOM N NE2 GLN B 202 . 23.183 41.824 -5.142 1.00 32.25 . 1 791 3 ATOM N N ILE B 203 . 19.137 37.885 -5.755 1.00 24.40 . 1 792 3 ATOM C CA ILE B 203 . 17.737 37.596 -5.313 1.00 23.03 . 1 793 3 ATOM C C ILE B 203 . 17.419 38.066 -3.906 1.00 21.89 . 1 794 3 ATOM O O ILE B 203 . 18.084 37.626 -2.939 1.00 21.85 . 1 795 3 ATOM C CB ILE B 203 . 17.551 36.037 -5.505 1.00 22.84 . 1 796 3 ATOM C CG1 ILE B 203 . 18.002 35.739 -6.964 1.00 23.48 . 1 797 3 ATOM C CG2 ILE B 203 . 16.159 35.498 -5.204 1.00 22.08 . 1 798 3 ATOM C CD1 ILE B 203 . 17.850 34.295 -7.414 1.00 22.95 . 1 799 4 ATOM N N THR B 204 . 16.396 38.900 -3.752 1.00 20.13 . 1 800 4 ATOM C CA THR B 204 . 16.034 39.393 -2.396 1.00 19.14 . 1 801 4 ATOM C C THR B 204 . 15.115 38.389 -1.744 1.00 17.57 . 1 802 4 ATOM O O THR B 204 . 14.603 37.511 -2.471 1.00 17.37 . 1 803 4 ATOM C CB THR B 204 . 15.536 40.877 -2.463 1.00 20.82 . 1 804 4 ATOM O OG1 THR B 204 . 14.332 40.941 -3.297 1.00 20.04 . 1 805 4 ATOM C CG2 THR B 204 . 16.628 41.867 -2.921 1.00 21.68 . 1 806 5 ATOM N N LEU B 205 . 14.835 38.514 -0.466 1.00 16.00 . 1 807 5 ATOM C CA LEU B 205 . 14.010 37.486 0.217 1.00 14.43 . 1 808 5 ATOM C C LEU B 205 . 12.647 37.962 0.665 1.00 14.04 . 1 809 5 ATOM O O LEU B 205 . 11.961 37.329 1.520 1.00 13.29 . 1 810 5 ATOM C CB LEU B 205 . 14.949 36.877 1.274 1.00 13.36 . 1 811 5 ATOM C CG LEU B 205 . 16.253 36.219 0.724 1.00 13.75 . 1 812 5 ATOM C CD1 LEU B 205 . 17.185 35.832 1.832 1.00 12.82 . 1 813 5 ATOM C CD2 LEU B 205 . 15.822 34.972 -0.072 1.00 13.20 . 1 814 6 ATOM N N TRP B 206 . 12.111 38.971 0.032 1.00 14.10 . 1 815 6 ATOM C CA TRP B 206 . 10.807 39.547 0.342 1.00 14.92 . 1 816 6 ATOM C C TRP B 206 . 9.762 38.516 -0.038 1.00 15.89 . 1 817 6 ATOM O O TRP B 206 . 8.754 38.416 0.720 1.00 17.77 . 1 818 6 ATOM C CB TRP B 206 . 10.523 40.943 -0.216 1.00 14.22 . 1 819 6 ATOM C CG TRP B 206 . 11.561 41.900 0.314 1.00 12.89 . 1 820 6 ATOM C CD1 TRP B 206 . 12.682 42.258 -0.409 1.00 11.66 . 1 821 6 ATOM C CD2 TRP B 206 . 11.649 42.520 1.587 1.00 11.31 . 1 822 6 ATOM N NE1 TRP B 206 . 13.443 43.125 0.355 1.00 11.48 . 1 823 6 ATOM C CE2 TRP B 206 . 12.813 43.308 1.574 1.00 10.50 . 1 824 6 ATOM C CE3 TRP B 206 . 10.831 42.561 2.698 1.00 12.24 . 1 825 6 ATOM C CZ2 TRP B 206 . 13.237 44.046 2.668 1.00 11.72 . 1 826 6 ATOM C CZ3 TRP B 206 . 11.228 43.316 3.815 1.00 11.02 . 1 827 6 ATOM C CH2 TRP B 206 . 12.376 44.042 3.802 1.00 10.93 . 1 828 7 ATOM N N GLN B 207 . 10.078 37.767 -1.061 1.00 15.68 . 1 829 7 ATOM C CA GLN B 207 . 9.150 36.718 -1.554 1.00 16.07 . 1 830 7 ATOM C C GLN B 207 . 9.964 35.439 -1.615 1.00 15.53 . 1 831 7 ATOM O O GLN B 207 . 11.211 35.450 -1.656 1.00 14.83 . 1 832 7 ATOM C CB GLN B 207 . 8.582 37.193 -2.909 1.00 17.03 . 1 833 7 ATOM C CG GLN B 207 . 7.397 38.152 -2.854 1.00 18.67 . 1 834 7 ATOM C CD GLN B 207 . 6.709 38.327 -4.188 1.00 19.61 . 1 835 7 ATOM O OE1 GLN B 207 . 7.117 37.808 -5.221 1.00 20.06 . 1 836 7 ATOM N NE2 GLN B 207 . 5.586 39.087 -4.237 1.00 20.50 . 1 837 8 ATOM N N ARG B 208 . 9.324 34.288 -1.606 1.00 16.10 . 1 838 8 ATOM C CA ARG B 208 . 10.075 32.995 -1.649 1.00 14.66 . 1 839 8 ATOM C C ARG B 208 . 10.960 33.067 -2.853 1.00 12.96 . 1 840 8 ATOM O O ARG B 208 . 10.445 33.484 -3.877 1.00 12.61 . 1 841 8 ATOM C CB ARG B 208 . 9.175 31.754 -1.824 1.00 14.73 . 1 842 8 ATOM C CG ARG B 208 . 8.514 31.365 -0.503 1.00 16.71 . 1 843 8 ATOM C CD ARG B 208 . 7.554 30.240 -0.748 1.00 18.62 . 1 844 8 ATOM N NE ARG B 208 . 6.753 30.134 0.469 1.00 19.99 . 1 845 8 ATOM C CZ ARG B 208 . 5.699 29.364 0.564 1.00 21.32 . 1 846 8 ATOM N NH1 ARG B 208 . 4.987 29.326 1.648 1.00 21.84 . 1 847 8 ATOM N NH2 ARG B 208 . 5.340 28.608 -0.484 1.00 23.09 . 1 848 9 ATOM N N PRO B 209 . 12.230 32.687 -2.696 1.00 11.76 . 1 849 9 ATOM C CA PRO B 209 . 13.131 32.692 -3.869 1.00 11.36 . 1 850 9 ATOM C C PRO B 209 . 12.846 31.562 -4.845 1.00 13.69 . 1 851 9 ATOM O O PRO B 209 . 13.639 30.589 -5.001 1.00 11.92 . 1 852 9 ATOM C CB PRO B 209 . 14.491 32.568 -3.208 1.00 10.99 . 1 853 9 ATOM C CG PRO B 209 . 14.280 31.815 -1.930 1.00 9.34 . 1 854 9 ATOM C CD PRO B 209 . 12.888 32.257 -1.476 1.00 10.53 . 1 855 10 ATOM N N LEU B 210 . 11.822 31.668 -5.676 1.00 15.88 . 1 856 10 ATOM C CA LEU B 210 . 11.389 30.706 -6.670 1.00 17.99 . 1 857 10 ATOM C C LEU B 210 . 12.065 30.935 -8.022 1.00 18.86 . 1 858 10 ATOM O O LEU B 210 . 12.121 32.076 -8.515 1.00 20.01 . 1 859 10 ATOM C CB LEU B 210 . 9.871 30.630 -6.804 1.00 18.81 . 1 860 10 ATOM C CG LEU B 210 . 8.979 30.286 -5.649 1.00 20.32 . 1 861 10 ATOM C CD1 LEU B 210 . 7.536 30.093 -6.071 1.00 20.54 . 1 862 10 ATOM C CD2 LEU B 210 . 9.403 28.940 -5.015 1.00 20.28 . 1 863 11 ATOM N N VAL B 211 . 12.632 29.878 -8.582 1.00 18.52 . 1 864 11 ATOM C CA VAL B 211 . 13.269 29.966 -9.894 1.00 18.66 . 1 865 11 ATOM C C VAL B 211 . 12.676 28.837 -10.788 1.00 18.25 . 1 866 11 ATOM O O VAL B 211 . 12.126 27.865 -10.267 1.00 17.63 . 1 867 11 ATOM C CB VAL B 211 . 14.796 29.836 -9.889 1.00 18.60 . 1 868 11 ATOM C CG1 VAL B 211 . 15.509 30.950 -9.176 1.00 19.07 . 1 869 11 ATOM C CG2 VAL B 211 . 15.230 28.435 -9.524 1.00 18.25 . 1 870 12 ATOM N N THR B 212 . 12.899 29.007 -12.076 1.00 18.65 1 1 871 12 ATOM C CA THR B 212 . 12.460 28.034 -13.074 1.00 18.43 1 1 872 12 ATOM C C THR B 212 . 13.668 27.090 -13.279 1.00 18.32 1 1 873 12 ATOM O O THR B 212 . 14.812 27.553 -13.363 1.00 18.64 1 1 874 12 ATOM C CB THR B 212 . 11.988 28.665 -14.438 1.00 19.17 1 1 875 12 ATOM O OG1 THR B 212 1 13.113 29.116 -15.195 0.50 19.88 1 1 876 12 ATOM O OG1 THR B 212 2 10.937 29.628 -14.111 0.50 18.52 1 1 877 12 ATOM C CG2 THR B 212 1 10.930 29.770 -14.245 0.50 19.06 1 1 878 12 ATOM C CG2 THR B 212 2 11.555 27.649 -15.488 0.50 18.04 1 1 879 13 ATOM N N ILE B 213 . 13.400 25.814 -13.259 1.00 16.97 . 1 880 13 ATOM C CA ILE B 213 . 14.464 24.801 -13.460 1.00 16.98 . 1 881 13 ATOM C C ILE B 213 . 13.991 24.002 -14.650 1.00 17.70 . 1 882 13 ATOM O O ILE B 213 . 12.755 23.977 -14.853 1.00 18.70 . 1 883 13 ATOM C CB ILE B 213 . 14.717 23.947 -12.168 1.00 15.78 . 1 884 13 ATOM C CG1 ILE B 213 . 13.483 23.058 -11.935 1.00 16.27 . 1 885 13 ATOM C CG2 ILE B 213 . 15.162 24.849 -10.979 1.00 15.33 . 1 886 13 ATOM C CD1 ILE B 213 . 13.492 21.966 -10.865 1.00 15.66 . 1 887 14 ATOM N N LYS B 214 . 14.889 23.451 -15.412 1.00 18.00 . 1 888 14 ATOM C CA LYS B 214 . 14.488 22.629 -16.588 1.00 18.63 . 1 889 14 ATOM C C LYS B 214 . 15.036 21.251 -16.254 1.00 19.19 . 1 890 14 ATOM O O LYS B 214 . 16.218 21.169 -15.946 1.00 17.28 . 1 891 14 ATOM C CB LYS B 214 . 15.135 23.125 -17.879 1.00 19.08 . 1 892 14 ATOM C CG LYS B 214 . 14.374 22.698 -19.149 1.00 19.71 . 1 893 14 ATOM C CD LYS B 214 . 14.826 23.556 -20.355 1.00 20.23 . 1 894 14 ATOM C CE LYS B 214 . 15.876 22.932 -21.212 1.00 21.45 . 1 895 14 ATOM N NZ LYS B 214 . 16.056 23.676 -22.526 1.00 22.99 . 1 896 15 ATOM N N ILE B 215 . 14.150 20.247 -16.252 1.00 20.47 . 1 897 15 ATOM C CA ILE B 215 . 14.640 18.875 -15.942 1.00 20.74 . 1 898 15 ATOM C C ILE B 215 . 13.826 17.976 -16.862 1.00 22.13 . 1 899 15 ATOM O O ILE B 215 . 12.612 18.178 -16.907 1.00 22.24 . 1 900 15 ATOM C CB ILE B 215 . 14.498 18.581 -14.409 1.00 19.80 . 1 901 15 ATOM C CG1 ILE B 215 . 15.234 17.247 -14.112 1.00 19.36 . 1 902 15 ATOM C CG2 ILE B 215 . 13.044 18.617 -13.944 1.00 19.32 . 1 903 15 ATOM C CD1 ILE B 215 . 15.229 16.767 -12.642 1.00 19.24 . 1 904 16 ATOM N N GLY B 216 . 14.483 17.086 -17.581 1.00 22.96 . 1 905 16 ATOM C CA GLY B 216 . 13.842 16.204 -18.525 1.00 24.39 . 1 906 16 ATOM C C GLY B 216 . 13.107 16.993 -19.622 1.00 26.69 . 1 907 16 ATOM O O GLY B 216 . 12.109 16.472 -20.174 1.00 26.79 . 1 908 17 ATOM N N GLY B 217 . 13.636 18.146 -20.001 1.00 27.57 . 1 909 17 ATOM C CA GLY B 217 . 13.036 18.963 -21.067 1.00 28.41 . 1 910 17 ATOM C C GLY B 217 . 11.795 19.665 -20.557 1.00 28.91 . 1 911 17 ATOM O O GLY B 217 . 11.185 20.397 -21.360 1.00 30.64 . 1 912 18 ATOM N N GLN B 218 . 11.443 19.479 -19.305 1.00 28.23 . 1 913 18 ATOM C CA GLN B 218 . 10.298 20.088 -18.632 1.00 27.88 . 1 914 18 ATOM C C GLN B 218 . 10.706 21.288 -17.750 1.00 25.46 . 1 915 18 ATOM O O GLN B 218 . 11.799 21.229 -17.146 1.00 24.22 . 1 916 18 ATOM C CB GLN B 218 . 9.692 19.068 -17.637 1.00 30.51 . 1 917 18 ATOM C CG GLN B 218 . 8.507 18.271 -18.120 1.00 33.73 . 1 918 18 ATOM C CD GLN B 218 . 8.604 16.865 -17.522 1.00 35.64 . 1 919 18 ATOM O OE1 GLN B 218 . 9.614 16.149 -17.726 1.00 36.79 . 1 920 18 ATOM N NE2 GLN B 218 . 7.562 16.517 -16.766 1.00 36.20 . 1 921 19 ATOM N N LEU B 219 . 9.845 22.290 -17.656 1.00 22.27 . 1 922 19 ATOM C CA LEU B 219 . 10.090 23.467 -16.821 1.00 20.27 . 1 923 19 ATOM C C LEU B 219 . 9.311 23.205 -15.496 1.00 20.32 . 1 924 19 ATOM O O LEU B 219 . 8.191 22.682 -15.556 1.00 19.55 . 1 925 19 ATOM C CB LEU B 219 . 9.560 24.768 -17.422 1.00 20.41 . 1 926 19 ATOM C CG LEU B 219 . 10.083 25.303 -18.752 1.00 19.72 . 1 927 19 ATOM C CD1 LEU B 219 . 9.481 26.661 -18.994 1.00 19.18 . 1 928 19 ATOM C CD2 LEU B 219 . 11.610 25.444 -18.659 1.00 19.90 . 1 929 20 ATOM N N LYS B 220 . 9.927 23.586 -14.416 1.00 20.17 . 1 930 20 ATOM C CA LYS B 220 . 9.348 23.442 -13.057 1.00 20.08 . 1 931 20 ATOM C C LYS B 220 . 9.836 24.648 -12.245 1.00 19.24 . 1 932 20 ATOM O O LYS B 220 . 10.767 25.323 -12.673 1.00 18.36 . 1 933 20 ATOM C CB LYS B 220 . 9.919 22.175 -12.454 1.00 21.68 . 1 934 20 ATOM C CG LYS B 220 . 9.101 20.929 -12.485 1.00 23.92 . 1 935 20 ATOM C CD LYS B 220 . 9.363 19.996 -13.647 1.00 25.02 . 1 936 20 ATOM C CE LYS B 220 . 8.392 18.810 -13.535 1.00 26.34 . 1 937 20 ATOM N NZ LYS B 220 . 8.124 18.560 -12.073 1.00 27.86 . 1 938 21 ATOM N N GLU B 221 . 9.171 24.948 -11.152 1.00 19.23 . 1 939 21 ATOM C CA GLU B 221 . 9.509 26.001 -10.219 1.00 19.16 . 1 940 21 ATOM C C GLU B 221 . 10.157 25.266 -9.017 1.00 17.43 . 1 941 21 ATOM O O GLU B 221 . 9.605 24.226 -8.643 1.00 16.74 . 1 942 21 ATOM C CB GLU B 221 . 8.316 26.716 -9.550 1.00 21.09 . 1 943 21 ATOM C CG GLU B 221 . 7.594 27.690 -10.515 1.00 24.39 . 1 944 21 ATOM C CD GLU B 221 . 8.543 28.769 -10.970 1.00 26.17 . 1 945 21 ATOM O OE1 GLU B 221 . 9.351 28.566 -11.864 1.00 27.54 . 1 946 21 ATOM O OE2 GLU B 221 . 8.430 29.812 -10.265 1.00 27.82 . 1 947 22 ATOM N N ALA B 222 . 11.215 25.876 -8.516 1.00 14.87 . 1 948 22 ATOM C CA ALA B 222 . 11.895 25.302 -7.362 1.00 12.88 . 1 949 22 ATOM C C ALA B 222 . 12.407 26.457 -6.504 1.00 12.44 . 1 950 22 ATOM O O ALA B 222 . 12.680 27.614 -6.992 1.00 11.81 . 1 951 22 ATOM C CB ALA B 222 . 12.998 24.354 -7.789 1.00 13.41 . 1 952 23 ATOM N N LEU B 223 . 12.482 26.172 -5.266 1.00 11.61 . 1 953 23 ATOM C CA LEU B 223 . 12.932 27.168 -4.244 1.00 12.98 . 1 954 23 ATOM C C LEU B 223 . 14.425 27.068 -4.046 1.00 13.35 . 1 955 23 ATOM O O LEU B 223 . 14.860 25.935 -3.770 1.00 12.42 . 1 956 23 ATOM C CB LEU B 223 . 12.156 26.704 -3.015 1.00 13.42 . 1 957 23 ATOM C CG LEU B 223 . 12.344 27.532 -1.708 1.00 13.46 . 1 958 23 ATOM C CD1 LEU B 223 . 11.618 28.824 -2.006 1.00 13.71 . 1 959 23 ATOM C CD2 LEU B 223 . 11.703 26.685 -0.606 1.00 12.60 . 1 960 24 ATOM N N LEU B 224 . 15.171 28.146 -4.047 1.00 13.82 . 1 961 24 ATOM C CA LEU B 224 . 16.640 28.062 -3.746 1.00 13.15 . 1 962 24 ATOM C C LEU B 224 . 16.644 28.047 -2.207 1.00 12.92 . 1 963 24 ATOM O O LEU B 224 . 16.144 29.031 -1.617 1.00 12.71 . 1 964 24 ATOM C CB LEU B 224 . 17.300 29.273 -4.370 1.00 13.13 . 1 965 24 ATOM C CG LEU B 224 . 17.099 29.515 -5.843 1.00 12.82 . 1 966 24 ATOM C CD1 LEU B 224 . 18.017 30.661 -6.308 1.00 12.87 . 1 967 24 ATOM C CD2 LEU B 224 . 17.522 28.289 -6.648 1.00 12.61 . 1 968 25 ATOM N N ASP B 225 . 17.138 26.957 -1.644 1.00 12.29 . 1 969 25 ATOM C CA ASP B 225 . 17.028 26.757 -0.186 1.00 10.63 . 1 970 25 ATOM C C ASP B 225 . 18.335 26.462 0.516 1.00 10.88 . 1 971 25 ATOM O O ASP B 225 . 18.862 25.324 0.540 1.00 10.12 . 1 972 25 ATOM C CB ASP B 225 . 16.000 25.578 -0.112 1.00 10.02 . 1 973 25 ATOM C CG ASP B 225 . 15.636 25.146 1.261 1.00 10.19 . 1 974 25 ATOM O OD1 ASP B 225 . 14.859 24.226 1.439 1.00 11.51 . 1 975 25 ATOM O OD2 ASP B 225 . 16.074 25.707 2.313 1.00 11.85 . 1 976 26 ATOM N N THR B 226 . 18.901 27.537 1.119 1.00 9.70 . 1 977 26 ATOM C CA THR B 226 . 20.187 27.411 1.776 1.00 9.48 . 1 978 26 ATOM C C THR B 226 . 20.064 26.533 3.008 1.00 10.16 . 1 979 26 ATOM O O THR B 226 . 21.096 26.091 3.567 1.00 10.52 . 1 980 26 ATOM C CB THR B 226 . 20.756 28.855 2.050 1.00 10.00 . 1 981 26 ATOM O OG1 THR B 226 . 19.822 29.428 3.015 1.00 10.82 . 1 982 26 ATOM C CG2 THR B 226 . 20.860 29.748 0.800 1.00 11.10 . 1 983 27 ATOM N N GLY B 227 . 18.841 26.281 3.447 1.00 10.32 . 1 984 27 ATOM C CA GLY B 227 . 18.755 25.434 4.684 1.00 11.07 . 1 985 27 ATOM C C GLY B 227 . 18.623 23.976 4.250 1.00 11.53 . 1 986 27 ATOM O O GLY B 227 . 18.305 23.174 5.159 1.00 12.04 . 1 987 28 ATOM N N ALA B 228 . 18.829 23.644 2.976 1.00 9.71 . 1 988 28 ATOM C CA ALA B 228 . 18.737 22.270 2.524 1.00 9.37 . 1 989 28 ATOM C C ALA B 228 . 20.055 21.750 2.021 1.00 8.93 . 1 990 28 ATOM O O ALA B 228 . 20.654 22.291 1.065 1.00 8.60 . 1 991 28 ATOM C CB ALA B 228 . 17.616 22.063 1.461 1.00 10.17 . 1 992 29 ATOM N N ASP B 229 . 20.547 20.710 2.650 1.00 8.57 . 1 993 29 ATOM C CA ASP B 229 . 21.787 20.051 2.249 1.00 8.62 . 1 994 29 ATOM C C ASP B 229 . 21.599 19.509 0.813 1.00 8.27 . 1 995 29 ATOM O O ASP B 229 . 22.458 19.586 -0.022 1.00 7.50 . 1 996 29 ATOM C CB ASP B 229 . 21.955 18.810 3.180 1.00 9.42 . 1 997 29 ATOM C CG ASP B 229 . 22.379 19.158 4.606 1.00 10.36 . 1 998 29 ATOM O OD1 ASP B 229 . 22.414 18.316 5.493 1.00 10.60 . 1 999 29 ATOM O OD2 ASP B 229 . 22.653 20.335 4.852 1.00 10.95 . 1 1000 30 ATOM N N ASP B 230 . 20.445 18.898 0.631 1.00 8.69 1 1 1001 30 ATOM C CA ASP B 230 . 20.149 18.183 -0.639 1.00 9.49 1 1 1002 30 ATOM C C ASP B 230 . 19.095 18.810 -1.488 1.00 9.59 1 1 1003 30 ATOM O O ASP B 230 . 18.247 19.566 -0.958 1.00 9.71 1 1 1004 30 ATOM C CB ASP B 230 . 19.583 16.803 -0.113 1.00 11.77 1 1 1005 30 ATOM C CG ASP B 230 . 20.653 16.028 0.702 1.00 13.11 1 1 1006 30 ATOM O OD1 ASP B 230 1 20.502 14.997 1.337 0.58 13.58 1 1 1007 30 ATOM O OD1 ASP B 230 2 20.376 15.965 1.923 0.42 12.43 1 1 1008 30 ATOM O OD2 ASP B 230 1 21.798 16.553 0.642 0.58 12.99 1 1 1009 30 ATOM O OD2 ASP B 230 2 21.575 15.546 0.038 0.42 12.43 1 1 1010 31 ATOM N N THR B 231 . 18.959 18.341 -2.730 1.00 8.90 . 1 1011 31 ATOM C CA THR B 231 . 17.934 18.812 -3.659 1.00 8.91 . 1 1012 31 ATOM C C THR B 231 . 16.807 17.738 -3.632 1.00 9.78 . 1 1013 31 ATOM O O THR B 231 . 17.078 16.573 -3.914 1.00 8.24 . 1 1014 31 ATOM C CB THR B 231 . 18.524 19.049 -5.064 1.00 9.63 . 1 1015 31 ATOM O OG1 THR B 231 . 19.275 20.351 -5.094 1.00 10.03 . 1 1016 31 ATOM C CG2 THR B 231 . 17.491 18.929 -6.211 1.00 8.58 . 1 1017 32 ATOM N N VAL B 232 . 15.592 18.119 -3.347 1.00 11.27 . 1 1018 32 ATOM C CA VAL B 232 . 14.395 17.271 -3.278 1.00 12.42 . 1 1019 32 ATOM C C VAL B 232 . 13.330 17.852 -4.231 1.00 13.19 . 1 1020 32 ATOM O O VAL B 232 . 12.879 18.955 -4.040 1.00 13.59 . 1 1021 32 ATOM C CB VAL B 232 . 13.746 17.284 -1.866 1.00 12.85 . 1 1022 32 ATOM C CG1 VAL B 232 . 12.670 16.159 -1.762 1.00 14.07 . 1 1023 32 ATOM C CG2 VAL B 232 . 14.752 17.156 -0.760 1.00 12.65 . 1 1024 33 ATOM N N LEU B 233 . 12.878 17.057 -5.142 1.00 13.18 . 1 1025 33 ATOM C CA LEU B 233 . 11.882 17.355 -6.116 1.00 14.62 . 1 1026 33 ATOM C C LEU B 233 . 10.633 16.494 -5.820 1.00 16.04 . 1 1027 33 ATOM O O LEU B 233 . 10.727 15.393 -5.265 1.00 15.99 . 1 1028 33 ATOM C CB LEU B 233 . 12.439 17.185 -7.556 1.00 11.16 . 1 1029 33 ATOM C CG LEU B 233 . 13.620 18.107 -7.869 1.00 12.21 . 1 1030 33 ATOM C CD1 LEU B 233 . 14.106 17.738 -9.310 1.00 12.13 . 1 1031 33 ATOM C CD2 LEU B 233 . 13.197 19.545 -7.895 1.00 10.20 . 1 1032 34 ATOM N N GLU B 234 . 9.503 17.116 -6.158 1.00 17.88 . 1 1033 34 ATOM C CA GLU B 234 . 8.221 16.368 -5.973 1.00 20.33 . 1 1034 34 ATOM C C GLU B 234 . 8.250 15.179 -6.937 1.00 21.59 . 1 1035 34 ATOM O O GLU B 234 . 8.890 15.244 -7.982 1.00 21.60 . 1 1036 34 ATOM C CB GLU B 234 . 7.052 17.262 -6.329 1.00 20.42 . 1 1037 34 ATOM C CG GLU B 234 . 6.873 18.500 -5.404 1.00 21.66 . 1 1038 34 ATOM C CD GLU B 234 . 6.198 19.616 -6.142 1.00 22.47 . 1 1039 34 ATOM O OE1 GLU B 234 . 6.081 20.735 -5.723 1.00 23.38 . 1 1040 34 ATOM O OE2 GLU B 234 . 5.730 19.245 -7.239 1.00 23.36 . 1 1041 35 ATOM N N GLU B 235 . 7.473 14.156 -6.600 1.00 24.47 . 1 1042 35 ATOM C CA GLU B 235 . 7.358 12.951 -7.398 1.00 27.56 . 1 1043 35 ATOM C C GLU B 235 . 7.404 13.236 -8.898 1.00 28.95 . 1 1044 35 ATOM O O GLU B 235 . 6.652 14.081 -9.431 1.00 29.07 . 1 1045 35 ATOM C CB GLU B 235 . 6.162 12.062 -7.066 1.00 28.48 . 1 1046 35 ATOM C CG GLU B 235 . 6.058 10.837 -7.980 1.00 29.93 . 1 1047 35 ATOM C CD GLU B 235 . 7.214 9.878 -8.006 1.00 31.33 . 1 1048 35 ATOM O OE1 GLU B 235 . 7.694 9.338 -9.016 1.00 31.90 . 1 1049 35 ATOM O OE2 GLU B 235 . 7.663 9.617 -6.848 1.00 32.36 . 1 1050 36 ATOM N N MET B 236 . 8.336 12.539 -9.558 1.00 30.54 . 1 1051 36 ATOM C CA MET B 236 . 8.524 12.673 -11.000 1.00 32.11 . 1 1052 36 ATOM C C MET B 236 . 9.283 11.479 -11.571 1.00 32.90 . 1 1053 36 ATOM O O MET B 236 . 10.003 10.758 -10.855 1.00 33.68 . 1 1054 36 ATOM C CB MET B 236 . 9.161 13.997 -11.321 1.00 33.77 . 1 1055 36 ATOM C CG MET B 236 . 10.504 14.203 -10.670 1.00 34.59 . 1 1056 36 ATOM S SD MET B 236 . 11.206 15.673 -11.543 1.00 36.50 . 1 1057 36 ATOM C CE MET B 236 . 10.851 15.214 -13.269 1.00 35.75 . 1 1058 37 ATOM N N ASN B 237 . 9.076 11.239 -12.858 1.00 33.22 . 1 1059 37 ATOM C CA ASN B 237 . 9.756 10.098 -13.501 1.00 33.78 . 1 1060 37 ATOM C C ASN B 237 . 11.217 10.491 -13.755 1.00 33.11 . 1 1061 37 ATOM O O ASN B 237 . 11.463 11.455 -14.517 1.00 33.65 . 1 1062 37 ATOM C CB ASN B 237 . 9.012 9.618 -14.736 1.00 34.94 . 1 1063 37 ATOM C CG ASN B 237 . 7.776 8.801 -14.413 1.00 36.48 . 1 1064 37 ATOM O OD1 ASN B 237 . 6.675 9.033 -14.983 1.00 37.12 . 1 1065 37 ATOM N ND2 ASN B 237 . 7.900 7.832 -13.493 1.00 36.95 . 1 1066 38 ATOM N N LEU B 238 . 12.139 9.769 -13.118 1.00 31.15 . 1 1067 38 ATOM C CA LEU B 238 . 13.572 10.088 -13.416 1.00 29.89 . 1 1068 38 ATOM C C LEU B 238 . 14.179 8.800 -13.971 1.00 29.56 . 1 1069 38 ATOM O O LEU B 238 . 13.666 7.700 -13.664 1.00 30.22 . 1 1070 38 ATOM C CB LEU B 238 . 14.238 10.708 -12.206 1.00 28.98 . 1 1071 38 ATOM C CG LEU B 238 . 14.086 12.200 -11.964 1.00 27.58 . 1 1072 38 ATOM C CD1 LEU B 238 . 15.031 12.674 -10.865 1.00 27.41 . 1 1073 38 ATOM C CD2 LEU B 238 . 14.431 12.964 -13.236 1.00 26.95 . 1 1074 39 ATOM N N PRO B 239 . 15.240 8.951 -14.724 1.00 29.03 . 1 1075 39 ATOM C CA PRO B 239 . 15.951 7.839 -15.346 1.00 28.01 . 1 1076 39 ATOM C C PRO B 239 . 17.024 7.210 -14.480 1.00 26.54 . 1 1077 39 ATOM O O PRO B 239 . 17.819 7.869 -13.745 1.00 26.79 . 1 1078 39 ATOM C CB PRO B 239 . 16.575 8.519 -16.585 1.00 28.49 . 1 1079 39 ATOM C CG PRO B 239 . 17.090 9.826 -15.956 1.00 29.47 . 1 1080 39 ATOM C CD PRO B 239 . 15.836 10.260 -15.142 1.00 29.65 . 1 1081 40 ATOM N N GLY B 240 . 17.005 5.890 -14.565 1.00 24.63 . 1 1082 40 ATOM C CA GLY B 240 . 17.977 5.014 -13.892 1.00 22.81 . 1 1083 40 ATOM C C GLY B 240 . 17.491 4.419 -12.578 1.00 20.00 . 1 1084 40 ATOM O O GLY B 240 . 16.327 4.500 -12.227 1.00 21.51 . 1 1085 41 ATOM N N ARG B 241 . 18.420 3.862 -11.837 1.00 17.79 . 1 1086 41 ATOM C CA ARG B 241 . 18.171 3.241 -10.546 1.00 16.46 . 1 1087 41 ATOM C C ARG B 241 . 18.212 4.316 -9.471 1.00 15.49 . 1 1088 41 ATOM O O ARG B 241 . 19.011 5.300 -9.524 1.00 14.79 . 1 1089 41 ATOM C CB ARG B 241 . 19.294 2.216 -10.231 1.00 14.89 . 1 1090 41 ATOM C CG ARG B 241 . 19.185 1.034 -11.184 1.00 15.05 . 1 1091 41 ATOM C CD ARG B 241 . 20.138 -0.068 -10.941 1.00 14.37 . 1 1092 41 ATOM N NE ARG B 241 . 20.010 -0.634 -9.611 1.00 14.29 . 1 1093 41 ATOM C CZ ARG B 241 . 19.075 -1.553 -9.253 1.00 13.24 . 1 1094 41 ATOM N NH1 ARG B 241 . 18.172 -1.959 -10.137 1.00 12.04 . 1 1095 41 ATOM N NH2 ARG B 241 . 19.175 -2.022 -7.982 1.00 12.83 . 1 1096 42 ATOM N N TRP B 242 . 17.483 4.053 -8.438 1.00 14.92 . 1 1097 42 ATOM C CA TRP B 242 . 17.463 4.984 -7.284 1.00 14.29 . 1 1098 42 ATOM C C TRP B 242 . 17.920 4.123 -6.111 1.00 14.85 . 1 1099 42 ATOM O O TRP B 242 . 17.939 2.898 -6.265 1.00 14.31 . 1 1100 42 ATOM C CB TRP B 242 . 16.152 5.628 -7.071 1.00 13.41 . 1 1101 42 ATOM C CG TRP B 242 . 15.037 4.637 -6.880 1.00 12.84 . 1 1102 42 ATOM C CD1 TRP B 242 . 14.328 4.017 -7.851 1.00 12.87 . 1 1103 42 ATOM C CD2 TRP B 242 . 14.551 4.167 -5.629 1.00 13.04 . 1 1104 42 ATOM N NE1 TRP B 242 . 13.350 3.217 -7.273 1.00 12.76 . 1 1105 42 ATOM C CE2 TRP B 242 . 13.483 3.291 -5.900 1.00 12.22 . 1 1106 42 ATOM C CE3 TRP B 242 . 14.908 4.469 -4.298 1.00 12.97 . 1 1107 42 ATOM C CZ2 TRP B 242 . 12.767 2.647 -4.924 1.00 12.03 . 1 1108 42 ATOM C CZ3 TRP B 242 . 14.150 3.812 -3.307 1.00 12.68 . 1 1109 42 ATOM C CH2 TRP B 242 . 13.125 2.935 -3.622 1.00 13.12 . 1 1110 43 ATOM N N LYS B 243 . 18.374 4.868 -5.109 1.00 15.31 1 1 1111 43 ATOM C CA LYS B 243 . 18.822 4.148 -3.878 1.00 16.51 1 1 1112 43 ATOM C C LYS B 243 . 18.062 4.841 -2.773 1.00 15.58 1 1 1113 43 ATOM O O LYS B 243 . 17.592 5.948 -3.034 1.00 15.50 1 1 1114 43 ATOM C CB LYS B 243 . 20.288 3.951 -3.805 1.00 17.70 1 1 1115 43 ATOM C CG LYS B 243 . 21.189 5.181 -3.688 1.00 19.39 1 1 1116 43 ATOM C CD LYS B 243 . 22.530 4.731 -3.032 1.00 19.84 1 1 1117 43 ATOM C CE LYS B 243 . 23.695 5.564 -3.545 1.00 20.55 1 1 1118 43 ATOM N NZ LYS B 243 1 24.948 5.121 -2.852 0.50 19.45 1 1 1119 43 ATOM N NZ LYS B 243 2 23.379 6.057 -4.932 0.50 20.59 1 1 1120 44 ATOM N N PRO B 244 . 17.846 4.187 -1.657 1.00 15.77 . 1 1121 44 ATOM C CA PRO B 244 . 17.101 4.691 -0.524 1.00 16.56 . 1 1122 44 ATOM C C PRO B 244 . 17.863 5.756 0.265 1.00 16.65 . 1 1123 44 ATOM O O PRO B 244 . 19.071 5.653 0.383 1.00 16.88 . 1 1124 44 ATOM C CB PRO B 244 . 16.893 3.483 0.410 1.00 16.03 . 1 1125 44 ATOM C CG PRO B 244 . 17.387 2.330 -0.356 1.00 15.96 . 1 1126 44 ATOM C CD PRO B 244 . 18.402 2.847 -1.352 1.00 16.21 . 1 1127 45 ATOM N N LYS B 245 . 17.154 6.765 0.770 1.00 16.41 . 1 1128 45 ATOM C CA LYS B 245 . 17.784 7.822 1.533 1.00 17.09 . 1 1129 45 ATOM C C LYS B 245 . 16.742 8.396 2.493 1.00 18.19 . 1 1130 45 ATOM O O LYS B 245 . 15.546 8.523 2.062 1.00 17.70 . 1 1131 45 ATOM C CB LYS B 245 . 18.368 8.973 0.647 1.00 16.44 . 1 1132 45 ATOM C CG LYS B 245 . 19.286 9.744 1.651 1.00 18.48 . 1 1133 45 ATOM C CD LYS B 245 . 19.909 11.027 1.197 1.00 19.04 . 1 1134 45 ATOM C CE LYS B 245 . 20.999 11.496 2.130 1.00 20.75 . 1 1135 45 ATOM N NZ LYS B 245 . 21.724 12.659 1.493 1.00 23.21 . 1 1136 46 ATOM N N MET B 246 . 17.143 8.623 3.692 1.00 19.94 . 1 1137 46 ATOM C CA MET B 246 . 16.269 9.176 4.751 1.00 22.49 . 1 1138 46 ATOM C C MET B 246 . 16.710 10.630 4.931 1.00 21.38 . 1 1139 46 ATOM O O MET B 246 . 17.890 10.888 4.935 1.00 21.59 . 1 1140 46 ATOM C CB MET B 246 . 16.383 8.414 6.060 1.00 25.10 . 1 1141 46 ATOM C CG MET B 246 . 15.587 7.110 5.965 1.00 28.88 . 1 1142 46 ATOM S SD MET B 246 . 13.990 7.442 6.842 1.00 32.57 . 1 1143 46 ATOM C CE MET B 246 . 14.728 8.234 8.327 1.00 31.58 . 1 1144 47 ATOM N N ILE B 247 . 15.760 11.539 5.075 1.00 21.28 . 1 1145 47 ATOM C CA ILE B 247 . 16.100 12.945 5.281 1.00 20.68 . 1 1146 47 ATOM C C ILE B 247 . 15.253 13.474 6.440 1.00 20.02 . 1 1147 47 ATOM O O ILE B 247 . 14.170 12.909 6.704 1.00 20.17 . 1 1148 47 ATOM C CB ILE B 247 . 15.954 13.735 3.939 1.00 21.20 . 1 1149 47 ATOM C CG1 ILE B 247 . 14.588 13.397 3.269 1.00 22.11 . 1 1150 47 ATOM C CG2 ILE B 247 . 17.126 13.548 2.957 1.00 21.36 . 1 1151 47 ATOM C CD1 ILE B 247 . 14.268 14.370 2.084 1.00 22.26 . 1 1152 48 ATOM N N GLY B 248 . 15.783 14.466 7.121 1.00 18.73 . 1 1153 48 ATOM C CA GLY B 248 . 15.032 15.081 8.283 1.00 16.98 . 1 1154 48 ATOM C C GLY B 248 . 14.544 16.447 7.834 1.00 16.38 . 1 1155 48 ATOM O O GLY B 248 . 15.113 17.140 6.978 1.00 15.44 . 1 1156 49 ATOM N N GLY B 249 . 13.431 16.887 8.366 1.00 17.22 . 1 1157 49 ATOM C CA GLY B 249 . 12.815 18.171 8.034 1.00 17.30 . 1 1158 49 ATOM C C GLY B 249 . 12.286 18.713 9.329 1.00 17.67 . 1 1159 49 ATOM O O GLY B 249 . 12.601 18.204 10.381 1.00 16.65 . 1 1160 50 ATOM N N ILE B 250 . 11.471 19.742 9.163 1.00 19.83 . 1 1161 50 ATOM C CA ILE B 250 . 10.869 20.371 10.365 1.00 21.64 . 1 1162 50 ATOM C C ILE B 250 . 9.932 19.374 11.020 1.00 22.22 . 1 1163 50 ATOM O O ILE B 250 . 9.870 19.328 12.262 1.00 22.01 . 1 1164 50 ATOM C CB ILE B 250 . 10.231 21.752 10.004 1.00 22.04 . 1 1165 50 ATOM C CG1 ILE B 250 . 10.048 22.624 11.280 1.00 22.17 . 1 1166 50 ATOM C CG2 ILE B 250 . 8.930 21.652 9.194 1.00 22.11 . 1 1167 50 ATOM C CD1 ILE B 250 . 11.294 23.536 11.543 1.00 22.68 . 1 1168 51 ATOM N N GLY B 251 . 9.241 18.579 10.216 1.00 23.14 . 1 1169 51 ATOM C CA GLY B 251 . 8.255 17.617 10.767 1.00 23.28 . 1 1170 51 ATOM C C GLY B 251 . 8.788 16.294 11.219 1.00 24.12 . 1 1171 51 ATOM O O GLY B 251 . 8.123 15.648 12.053 1.00 24.99 . 1 1172 52 ATOM N N GLY B 252 . 9.940 15.848 10.796 1.00 24.16 . 1 1173 52 ATOM C CA GLY B 252 . 10.531 14.558 11.158 1.00 24.63 . 1 1174 52 ATOM C C GLY B 252 . 11.304 14.051 9.911 1.00 24.44 . 1 1175 52 ATOM O O GLY B 252 . 11.593 14.883 9.071 1.00 23.43 . 1 1176 53 ATOM N N PHE B 253 . 11.550 12.787 9.862 1.00 24.31 . 1 1177 53 ATOM C CA PHE B 253 . 12.257 12.066 8.788 1.00 24.61 . 1 1178 53 ATOM C C PHE B 253 . 11.291 11.436 7.808 1.00 25.17 . 1 1179 53 ATOM O O PHE B 253 . 10.175 11.091 8.242 1.00 26.28 . 1 1180 53 ATOM C CB PHE B 253 . 13.140 11.001 9.502 1.00 24.47 . 1 1181 53 ATOM C CG PHE B 253 . 14.174 11.712 10.355 1.00 24.73 . 1 1182 53 ATOM C CD1 PHE B 253 . 15.420 11.998 9.807 1.00 25.09 . 1 1183 53 ATOM C CD2 PHE B 253 . 13.862 12.116 11.647 1.00 25.13 . 1 1184 53 ATOM C CE1 PHE B 253 . 16.392 12.634 10.570 1.00 25.43 . 1 1185 53 ATOM C CE2 PHE B 253 . 14.814 12.792 12.438 1.00 25.01 . 1 1186 53 ATOM C CZ PHE B 253 . 16.085 13.066 11.886 1.00 25.03 . 1 1187 54 ATOM N N ILE B 254 . 11.598 11.360 6.541 1.00 24.67 . 1 1188 54 ATOM C CA ILE B 254 . 10.842 10.772 5.457 1.00 24.30 . 1 1189 54 ATOM C C ILE B 254 . 11.861 9.951 4.620 1.00 24.02 . 1 1190 54 ATOM O O ILE B 254 . 13.044 10.231 4.718 1.00 23.79 . 1 1191 54 ATOM C CB ILE B 254 . 10.066 11.730 4.497 1.00 24.51 . 1 1192 54 ATOM C CG1 ILE B 254 . 11.030 12.418 3.538 1.00 24.69 . 1 1193 54 ATOM C CG2 ILE B 254 . 9.171 12.719 5.288 1.00 25.55 . 1 1194 54 ATOM C CD1 ILE B 254 . 10.648 13.634 2.671 1.00 24.41 . 1 1195 55 ATOM N N LYS B 255 . 11.331 9.038 3.822 1.00 24.57 . 1 1196 55 ATOM C CA LYS B 255 . 12.159 8.207 2.952 1.00 24.55 . 1 1197 55 ATOM C C LYS B 255 . 12.047 8.823 1.573 1.00 23.30 . 1 1198 55 ATOM O O LYS B 255 . 10.951 9.303 1.264 1.00 23.55 . 1 1199 55 ATOM C CB LYS B 255 . 11.618 6.792 2.936 1.00 26.67 . 1 1200 55 ATOM C CG LYS B 255 . 11.870 5.950 4.180 1.00 28.38 . 1 1201 55 ATOM C CD LYS B 255 . 13.299 5.572 4.418 1.00 29.89 . 1 1202 55 ATOM C CE LYS B 255 . 14.015 5.131 3.124 1.00 30.32 . 1 1203 55 ATOM N NZ LYS B 255 . 15.473 4.931 3.512 1.00 30.18 . 1 1204 56 ATOM N N VAL B 256 . 13.080 8.878 0.800 1.00 22.29 . 1 1205 56 ATOM C CA VAL B 256 . 13.059 9.460 -0.552 1.00 21.21 . 1 1206 56 ATOM C C VAL B 256 . 13.857 8.500 -1.423 1.00 20.62 . 1 1207 56 ATOM O O VAL B 256 . 14.578 7.666 -0.876 1.00 20.28 . 1 1208 56 ATOM C CB VAL B 256 . 13.673 10.863 -0.552 1.00 21.76 . 1 1209 56 ATOM C CG1 VAL B 256 . 12.797 11.866 0.214 1.00 22.29 . 1 1210 56 ATOM C CG2 VAL B 256 . 15.070 10.839 0.068 1.00 21.45 . 1 1211 57 ATOM N N ARG B 257 . 13.692 8.668 -2.695 1.00 20.68 . 1 1212 57 ATOM C CA ARG B 257 . 14.435 7.876 -3.695 1.00 21.06 . 1 1213 57 ATOM C C ARG B 257 . 15.582 8.790 -4.164 1.00 20.14 . 1 1214 57 ATOM O O ARG B 257 . 15.323 9.968 -4.522 1.00 20.19 . 1 1215 57 ATOM C CB ARG B 257 . 13.570 7.464 -4.885 1.00 22.31 . 1 1216 57 ATOM C CG ARG B 257 . 12.240 6.868 -4.508 1.00 24.66 . 1 1217 57 ATOM C CD ARG B 257 . 11.624 6.135 -5.635 1.00 27.52 . 1 1218 57 ATOM N NE ARG B 257 . 11.509 6.903 -6.866 1.00 29.92 . 1 1219 57 ATOM C CZ ARG B 257 . 10.486 7.793 -6.955 1.00 31.87 . 1 1220 57 ATOM N NH1 ARG B 257 . 9.698 8.052 -5.908 1.00 32.21 . 1 1221 57 ATOM N NH2 ARG B 257 . 10.201 8.381 -8.128 1.00 32.60 . 1 1222 58 ATOM N N GLN B 258 . 16.776 8.255 -4.205 1.00 18.27 . 1 1223 58 ATOM C CA GLN B 258 . 17.943 9.039 -4.652 1.00 17.43 . 1 1224 58 ATOM C C GLN B 258 . 18.445 8.686 -6.016 1.00 17.65 . 1 1225 58 ATOM O O GLN B 258 . 18.758 7.546 -6.318 1.00 19.10 . 1 1226 58 ATOM C CB GLN B 258 . 19.102 8.830 -3.625 1.00 17.80 . 1 1227 58 ATOM C CG GLN B 258 . 20.422 9.349 -4.152 1.00 17.88 . 1 1228 58 ATOM C CD GLN B 258 . 21.542 9.223 -3.171 1.00 17.72 . 1 1229 58 ATOM O OE1 GLN B 258 . 21.341 9.055 -1.985 1.00 18.79 . 1 1230 58 ATOM N NE2 GLN B 258 . 22.785 9.326 -3.656 1.00 18.63 . 1 1231 59 ATOM N N TYR B 259 . 18.577 9.644 -6.909 1.00 17.89 . 1 1232 59 ATOM C CA TYR B 259 . 19.089 9.511 -8.252 1.00 17.86 . 1 1233 59 ATOM C C TYR B 259 . 20.367 10.352 -8.380 1.00 18.66 . 1 1234 59 ATOM O O TYR B 259 . 20.379 11.476 -7.877 1.00 18.74 . 1 1235 59 ATOM C CB TYR B 259 . 18.118 9.928 -9.369 1.00 16.57 . 1 1236 59 ATOM C CG TYR B 259 . 16.798 9.220 -9.384 1.00 15.32 . 1 1237 59 ATOM C CD1 TYR B 259 . 15.806 9.562 -8.468 1.00 15.01 . 1 1238 59 ATOM C CD2 TYR B 259 . 16.495 8.220 -10.335 1.00 15.47 . 1 1239 59 ATOM C CE1 TYR B 259 . 14.568 8.935 -8.450 1.00 15.20 . 1 1240 59 ATOM C CE2 TYR B 259 . 15.235 7.605 -10.313 1.00 15.23 . 1 1241 59 ATOM C CZ TYR B 259 . 14.289 7.952 -9.384 1.00 15.18 . 1 1242 59 ATOM O OH TYR B 259 . 13.069 7.295 -9.370 1.00 16.18 . 1 1243 60 ATOM N N ASP B 260 . 21.397 9.762 -8.986 1.00 19.32 . 1 1244 60 ATOM C CA ASP B 260 . 22.620 10.439 -9.268 1.00 20.57 . 1 1245 60 ATOM C C ASP B 260 . 22.748 10.802 -10.749 1.00 20.72 . 1 1246 60 ATOM O O ASP B 260 . 22.135 10.179 -11.658 1.00 20.36 . 1 1247 60 ATOM C CB ASP B 260 . 23.862 9.718 -8.752 1.00 23.21 . 1 1248 60 ATOM C CG ASP B 260 . 23.498 9.316 -7.303 1.00 25.13 . 1 1249 60 ATOM O OD1 ASP B 260 . 23.932 8.268 -6.863 1.00 26.17 . 1 1250 60 ATOM O OD2 ASP B 260 . 22.748 10.178 -6.800 1.00 25.88 . 1 1251 61 ATOM N N GLN B 261 . 23.520 11.864 -10.860 1.00 19.77 1 1 1252 61 ATOM C CA GLN B 261 . 23.924 12.422 -12.124 1.00 20.16 1 1 1253 61 ATOM C C GLN B 261 . 22.769 12.947 -12.940 1.00 19.98 1 1 1254 61 ATOM O O GLN B 261 . 22.708 12.608 -14.120 1.00 20.50 1 1 1255 61 ATOM C CB GLN B 261 . 24.756 11.366 -12.899 1.00 20.18 1 1 1256 61 ATOM C CG GLN B 261 1 25.918 10.945 -11.969 0.50 20.57 1 1 1257 61 ATOM C CG GLN B 261 2 25.929 11.961 -13.648 0.50 19.89 1 1 1258 61 ATOM C CD GLN B 261 1 27.000 12.016 -12.015 0.50 20.78 1 1 1259 61 ATOM C CD GLN B 261 2 27.136 11.056 -13.713 0.50 19.78 1 1 1260 61 ATOM O OE1 GLN B 261 1 27.656 12.342 -11.039 0.50 20.46 1 1 1261 61 ATOM O OE1 GLN B 261 2 27.344 10.202 -12.834 0.50 20.29 1 1 1262 61 ATOM N NE2 GLN B 261 1 27.174 12.509 -13.242 0.50 21.08 1 1 1263 61 ATOM N NE2 GLN B 261 2 27.958 11.236 -14.727 0.50 18.93 1 1 1264 62 ATOM N N ILE B 262 . 21.910 13.703 -12.260 1.00 19.84 . 1 1265 62 ATOM C CA ILE B 262 . 20.753 14.275 -12.970 1.00 19.07 . 1 1266 62 ATOM C C ILE B 262 . 21.210 15.660 -13.414 1.00 18.82 . 1 1267 62 ATOM O O ILE B 262 . 21.821 16.406 -12.628 1.00 18.66 . 1 1268 62 ATOM C CB ILE B 262 . 19.455 14.291 -12.076 1.00 18.98 . 1 1269 62 ATOM C CG1 ILE B 262 . 19.073 12.834 -11.648 1.00 18.61 . 1 1270 62 ATOM C CG2 ILE B 262 . 18.287 15.003 -12.804 1.00 18.89 . 1 1271 62 ATOM C CD1 ILE B 262 . 18.847 11.824 -12.808 1.00 17.95 . 1 1272 63 ATOM N N LEU B 263 . 21.005 15.925 -14.664 1.00 18.97 . 1 1273 63 ATOM C CA LEU B 263 . 21.318 17.268 -15.181 1.00 19.61 . 1 1274 63 ATOM C C LEU B 263 . 20.060 18.139 -14.939 1.00 19.38 . 1 1275 63 ATOM O O LEU B 263 . 18.931 17.721 -15.222 1.00 17.88 . 1 1276 63 ATOM C CB LEU B 263 . 21.551 17.103 -16.682 1.00 21.06 . 1 1277 63 ATOM C CG LEU B 263 . 21.553 18.503 -17.354 1.00 21.50 . 1 1278 63 ATOM C CD1 LEU B 263 . 22.863 19.176 -17.218 1.00 21.16 . 1 1279 63 ATOM C CD2 LEU B 263 . 21.124 18.232 -18.775 1.00 22.75 . 1 1280 64 ATOM N N ILE B 264 . 20.288 19.279 -14.391 1.00 19.93 1 1 1281 64 ATOM C CA ILE B 264 . 19.256 20.251 -14.092 1.00 21.57 1 1 1282 64 ATOM C C ILE B 264 . 19.778 21.606 -14.570 1.00 22.60 1 1 1283 64 ATOM O O ILE B 264 . 20.967 21.817 -14.464 1.00 22.35 1 1 1284 64 ATOM C CB ILE B 264 . 18.894 20.233 -12.577 1.00 21.46 1 1 1285 64 ATOM C CG1 ILE B 264 1 17.591 21.031 -12.321 0.50 21.35 1 1 1286 64 ATOM C CG1 ILE B 264 2 18.164 18.940 -12.169 0.50 21.18 1 1 1287 64 ATOM C CG2 ILE B 264 1 20.058 20.681 -11.653 0.50 21.55 1 1 1288 64 ATOM C CG2 ILE B 264 2 18.059 21.504 -12.214 0.50 20.95 1 1 1289 64 ATOM C CD1 ILE B 264 1 16.853 20.577 -11.020 0.50 21.65 1 1 1290 64 ATOM C CD1 ILE B 264 2 17.317 19.125 -10.867 0.50 21.17 1 1 1291 65 ATOM N N GLU B 265 . 18.948 22.424 -15.115 1.00 24.41 . 1 1292 65 ATOM C CA GLU B 265 . 19.357 23.781 -15.537 1.00 26.39 . 1 1293 65 ATOM C C GLU B 265 . 18.593 24.704 -14.587 1.00 26.41 . 1 1294 65 ATOM O O GLU B 265 . 17.358 24.580 -14.551 1.00 26.13 . 1 1295 65 ATOM C CB GLU B 265 . 18.956 24.134 -16.951 1.00 27.84 . 1 1296 65 ATOM C CG GLU B 265 . 19.816 25.292 -17.546 1.00 31.07 . 1 1297 65 ATOM C CD GLU B 265 . 19.462 25.427 -19.031 1.00 32.88 . 1 1298 65 ATOM O OE1 GLU B 265 . 19.167 26.456 -19.596 1.00 33.56 . 1 1299 65 ATOM O OE2 GLU B 265 . 19.459 24.268 -19.518 1.00 34.14 . 1 1300 66 ATOM N N ILE B 266 . 19.329 25.481 -13.846 1.00 26.81 . 1 1301 66 ATOM C CA ILE B 266 . 18.715 26.435 -12.885 1.00 27.61 . 1 1302 66 ATOM C C ILE B 266 . 19.055 27.806 -13.451 1.00 28.92 . 1 1303 66 ATOM O O ILE B 266 . 20.261 28.149 -13.416 1.00 27.83 . 1 1304 66 ATOM C CB ILE B 266 . 19.289 26.225 -11.454 1.00 27.12 . 1 1305 66 ATOM C CG1 ILE B 266 . 19.132 24.708 -11.091 1.00 27.52 . 1 1306 66 ATOM C CG2 ILE B 266 . 18.650 27.139 -10.402 1.00 27.15 . 1 1307 66 ATOM C CD1 ILE B 266 . 20.369 24.154 -10.329 1.00 27.03 . 1 1308 67 ATOM N N CYS B 267 . 18.023 28.477 -13.923 1.00 30.30 . 1 1309 67 ATOM C CA CYS B 267 . 18.218 29.812 -14.540 1.00 32.45 . 1 1310 67 ATOM C C CYS B 267 . 19.287 29.742 -15.615 1.00 32.59 . 1 1311 67 ATOM O O CYS B 267 . 20.187 30.583 -15.692 1.00 32.77 . 1 1312 67 ATOM C CB CYS B 267 . 18.576 30.909 -13.563 1.00 33.52 . 1 1313 67 ATOM S SG CYS B 267 . 17.193 31.398 -12.514 1.00 36.20 . 1 1314 68 ATOM N N GLY B 268 . 19.109 28.688 -16.415 1.00 33.22 . 1 1315 68 ATOM C CA GLY B 268 . 20.048 28.483 -17.525 1.00 32.46 . 1 1316 68 ATOM C C GLY B 268 . 21.414 28.119 -16.989 1.00 31.50 . 1 1317 68 ATOM O O GLY B 268 . 22.338 28.117 -17.831 1.00 32.62 . 1 1318 69 ATOM N N HIS B 269 . 21.541 27.863 -15.693 1.00 29.54 . 1 1319 69 ATOM C CA HIS B 269 . 22.873 27.411 -15.211 1.00 28.07 . 1 1320 69 ATOM C C HIS B 269 . 22.798 25.874 -15.200 1.00 27.14 . 1 1321 69 ATOM O O HIS B 269 . 21.924 25.389 -14.450 1.00 26.25 . 1 1322 69 ATOM C CB HIS B 269 . 23.275 27.839 -13.785 1.00 28.37 . 1 1323 69 ATOM C CG HIS B 269 . 23.518 29.326 -13.874 1.00 29.36 . 1 1324 69 ATOM N ND1 HIS B 269 . 24.732 29.897 -13.856 1.00 29.27 . 1 1325 69 ATOM C CD2 HIS B 269 . 22.585 30.320 -14.036 1.00 29.88 . 1 1326 69 ATOM C CE1 HIS B 269 . 24.576 31.221 -13.963 1.00 29.42 . 1 1327 69 ATOM N NE2 HIS B 269 . 23.317 31.496 -14.105 1.00 30.19 . 1 1328 70 ATOM N N LYS B 270 . 23.702 25.238 -15.908 1.00 25.96 . 1 1329 70 ATOM C CA LYS B 270 . 23.660 23.754 -15.886 1.00 25.42 . 1 1330 70 ATOM C C LYS B 270 . 24.307 23.177 -14.660 1.00 23.13 . 1 1331 70 ATOM O O LYS B 270 . 25.327 23.662 -14.180 1.00 23.89 . 1 1332 70 ATOM C CB LYS B 270 . 24.165 23.159 -17.186 1.00 27.41 . 1 1333 70 ATOM C CG LYS B 270 . 23.075 23.335 -18.294 1.00 30.04 . 1 1334 70 ATOM C CD LYS B 270 . 23.409 22.360 -19.430 1.00 31.76 . 1 1335 70 ATOM C CE LYS B 270 . 22.760 22.767 -20.729 1.00 33.73 . 1 1336 70 ATOM N NZ LYS B 270 . 23.177 24.173 -21.086 1.00 34.16 . 1 1337 71 ATOM N N ALA B 271 . 23.690 22.215 -14.010 1.00 20.10 . 1 1338 71 ATOM C CA ALA B 271 . 24.121 21.511 -12.837 1.00 18.68 . 1 1339 71 ATOM C C ALA B 271 . 23.901 20.022 -13.118 1.00 18.37 . 1 1340 71 ATOM O O ALA B 271 . 22.978 19.651 -13.871 1.00 18.07 . 1 1341 71 ATOM C CB ALA B 271 . 23.576 21.971 -11.501 1.00 17.45 . 1 1342 72 ATOM N N ILE B 272 . 24.766 19.196 -12.556 1.00 17.20 . 1 1343 72 ATOM C CA ILE B 272 . 24.693 17.766 -12.693 1.00 16.56 . 1 1344 72 ATOM C C ILE B 272 . 24.955 17.172 -11.307 1.00 15.54 . 1 1345 72 ATOM O O ILE B 272 . 26.101 17.197 -10.842 1.00 15.81 . 1 1346 72 ATOM C CB ILE B 272 . 25.666 17.131 -13.765 1.00 16.94 . 1 1347 72 ATOM C CG1 ILE B 272 . 25.334 17.602 -15.192 1.00 16.90 . 1 1348 72 ATOM C CG2 ILE B 272 . 25.588 15.574 -13.646 1.00 15.47 . 1 1349 72 ATOM C CD1 ILE B 272 . 26.517 17.843 -16.143 1.00 16.66 . 1 1350 73 ATOM N N GLY B 273 . 23.919 16.602 -10.716 1.00 14.63 . 1 1351 73 ATOM C CA GLY B 273 . 24.186 16.007 -9.378 1.00 14.83 . 1 1352 73 ATOM C C GLY B 273 . 23.073 15.140 -8.908 1.00 14.39 . 1 1353 73 ATOM O O GLY B 273 . 22.272 14.723 -9.736 1.00 15.14 . 1 1354 74 ATOM N N THR B 274 . 23.108 14.886 -7.638 1.00 14.75 . 1 1355 74 ATOM C CA THR B 274 . 22.149 14.077 -6.899 1.00 14.99 . 1 1356 74 ATOM C C THR B 274 . 20.856 14.795 -6.690 1.00 14.85 . 1 1357 74 ATOM O O THR B 274 . 20.956 15.968 -6.270 1.00 16.74 . 1 1358 74 ATOM C CB THR B 274 . 22.790 13.610 -5.526 1.00 15.27 . 1 1359 74 ATOM O OG1 THR B 274 . 23.916 12.839 -6.060 1.00 17.19 . 1 1360 74 ATOM C CG2 THR B 274 . 21.945 12.643 -4.679 1.00 16.18 . 1 1361 75 ATOM N N VAL B 275 . 19.741 14.154 -6.955 1.00 13.22 . 1 1362 75 ATOM C CA VAL B 275 . 18.409 14.690 -6.817 1.00 13.89 . 1 1363 75 ATOM C C VAL B 275 . 17.599 13.654 -6.031 1.00 13.78 . 1 1364 75 ATOM O O VAL B 275 . 17.733 12.457 -6.296 1.00 13.31 . 1 1365 75 ATOM C CB VAL B 275 . 17.801 14.922 -8.214 1.00 15.15 . 1 1366 75 ATOM C CG1 VAL B 275 . 16.304 15.015 -8.194 1.00 15.53 . 1 1367 75 ATOM C CG2 VAL B 275 . 18.469 16.067 -8.973 1.00 14.53 . 1 1368 76 ATOM N N LEU B 276 . 16.862 14.104 -5.088 1.00 13.97 . 1 1369 76 ATOM C CA LEU B 276 . 16.034 13.267 -4.211 1.00 14.51 . 1 1370 76 ATOM C C LEU B 276 . 14.586 13.517 -4.649 1.00 14.53 . 1 1371 76 ATOM O O LEU B 276 . 14.265 14.678 -5.008 1.00 14.96 . 1 1372 76 ATOM C CB LEU B 276 . 16.294 13.667 -2.772 1.00 13.98 . 1 1373 76 ATOM C CG LEU B 276 . 17.680 13.628 -2.158 1.00 14.21 . 1 1374 76 ATOM C CD1 LEU B 276 . 17.564 13.690 -0.637 1.00 13.30 . 1 1375 76 ATOM C CD2 LEU B 276 . 18.271 12.284 -2.621 1.00 13.31 . 1 1376 77 ATOM N N VAL B 277 . 13.768 12.471 -4.566 1.00 14.55 . 1 1377 77 ATOM C CA VAL B 277 . 12.337 12.599 -4.979 1.00 14.69 . 1 1378 77 ATOM C C VAL B 277 . 11.501 11.959 -3.853 1.00 14.83 . 1 1379 77 ATOM O O VAL B 277 . 11.782 10.838 -3.413 1.00 14.72 . 1 1380 77 ATOM C CB VAL B 277 . 12.279 11.861 -6.333 1.00 15.70 . 1 1381 77 ATOM C CG1 VAL B 277 . 10.857 11.437 -6.717 1.00 15.80 . 1 1382 77 ATOM C CG2 VAL B 277 . 12.913 12.622 -7.477 1.00 16.08 . 1 1383 78 ATOM N N GLY B 278 . 10.527 12.695 -3.362 1.00 15.02 . 1 1384 78 ATOM C CA GLY B 278 . 9.662 12.281 -2.253 1.00 16.12 . 1 1385 78 ATOM C C GLY B 278 . 8.649 13.415 -2.046 1.00 16.13 . 1 1386 78 ATOM O O GLY B 278 . 8.714 14.416 -2.810 1.00 16.45 . 1 1387 79 ATOM N N PRO B 279 . 7.849 13.221 -1.024 1.00 16.32 . 1 1388 79 ATOM C CA PRO B 279 . 6.791 14.189 -0.673 1.00 16.95 . 1 1389 79 ATOM C C PRO B 279 . 7.346 15.477 -0.130 1.00 17.26 . 1 1390 79 ATOM O O PRO B 279 . 7.662 15.586 1.052 1.00 18.05 . 1 1391 79 ATOM C CB PRO B 279 . 5.970 13.530 0.442 1.00 16.47 . 1 1392 79 ATOM C CG PRO B 279 . 6.515 12.161 0.600 1.00 16.38 . 1 1393 79 ATOM C CD PRO B 279 . 7.830 12.065 -0.130 1.00 16.13 . 1 1394 80 ATOM N N THR B 280 . 7.505 16.453 -0.984 1.00 18.26 . 1 1395 80 ATOM C CA THR B 280 . 7.981 17.775 -0.520 1.00 17.92 . 1 1396 80 ATOM C C THR B 280 . 6.920 18.764 -0.868 1.00 18.01 . 1 1397 80 ATOM O O THR B 280 . 6.261 18.639 -1.937 1.00 18.89 . 1 1398 80 ATOM C CB THR B 280 . 9.393 18.034 -1.180 1.00 18.23 . 1 1399 80 ATOM O OG1 THR B 280 . 9.922 19.284 -0.549 1.00 18.89 . 1 1400 80 ATOM C CG2 THR B 280 . 9.366 18.156 -2.692 1.00 18.38 . 1 1401 81 ATOM N N PRO B 281 . 6.732 19.751 -0.019 1.00 18.58 . 1 1402 81 ATOM C CA PRO B 281 . 5.755 20.832 -0.274 1.00 18.24 . 1 1403 81 ATOM C C PRO B 281 . 5.980 21.495 -1.617 1.00 18.28 . 1 1404 81 ATOM O O PRO B 281 . 5.010 21.950 -2.281 1.00 19.05 . 1 1405 81 ATOM C CB PRO B 281 . 5.924 21.735 0.918 1.00 18.50 . 1 1406 81 ATOM C CG PRO B 281 . 6.416 20.790 1.995 1.00 18.73 . 1 1407 81 ATOM C CD PRO B 281 . 7.453 19.940 1.270 1.00 18.40 . 1 1408 82 ATOM N N VAL B 282 . 7.242 21.678 -2.015 1.00 17.06 . 1 1409 82 ATOM C CA VAL B 282 . 7.705 22.255 -3.242 1.00 17.00 . 1 1410 82 ATOM C C VAL B 282 . 9.112 21.724 -3.560 1.00 15.52 . 1 1411 82 ATOM O O VAL B 282 . 9.797 21.279 -2.624 1.00 14.90 . 1 1412 82 ATOM C CB VAL B 282 . 7.885 23.807 -3.151 1.00 18.46 . 1 1413 82 ATOM C CG1 VAL B 282 . 6.553 24.459 -2.830 1.00 18.88 . 1 1414 82 ATOM C CG2 VAL B 282 . 8.906 24.116 -2.070 1.00 17.24 . 1 1415 83 ATOM N N ASN B 283 . 9.442 21.852 -4.804 1.00 14.47 . 1 1416 83 ATOM C CA ASN B 283 . 10.747 21.463 -5.340 1.00 13.73 . 1 1417 83 ATOM C C ASN B 283 . 11.758 22.376 -4.651 1.00 13.01 . 1 1418 83 ATOM O O ASN B 283 . 11.525 23.580 -4.547 1.00 14.42 . 1 1419 83 ATOM C CB ASN B 283 . 10.790 21.595 -6.879 1.00 13.74 . 1 1420 83 ATOM C CG ASN B 283 . 9.765 20.775 -7.594 1.00 14.08 . 1 1421 83 ATOM O OD1 ASN B 283 . 9.707 19.566 -7.350 1.00 14.87 . 1 1422 83 ATOM N ND2 ASN B 283 . 9.004 21.305 -8.578 1.00 13.69 . 1 1423 84 ATOM N N ILE B 284 . 12.807 21.828 -4.127 1.00 12.99 1 1 1424 84 ATOM C CA ILE B 284 . 13.809 22.604 -3.373 1.00 11.71 1 1 1425 84 ATOM C C ILE B 284 . 15.191 22.270 -3.951 1.00 12.40 1 1 1426 84 ATOM O O ILE B 284 . 15.524 21.140 -4.171 1.00 12.70 1 1 1427 84 ATOM C CB ILE B 284 . 13.661 22.154 -1.885 1.00 10.98 1 1 1428 84 ATOM C CG1 ILE B 284 1 14.100 20.767 -1.499 0.50 10.50 1 1 1429 84 ATOM C CG1 ILE B 284 2 12.508 22.815 -1.126 0.50 10.93 1 1 1430 84 ATOM C CG2 ILE B 284 1 12.199 22.394 -1.376 0.50 11.53 1 1 1431 84 ATOM C CG2 ILE B 284 2 15.021 22.262 -1.105 0.50 10.68 1 1 1432 84 ATOM C CD1 ILE B 284 1 14.068 20.655 0.096 0.50 9.56 1 1 1433 84 ATOM C CD1 ILE B 284 2 12.039 22.002 0.126 0.50 9.87 1 1 1434 85 ATOM N N ILE B 285 . 15.969 23.286 -4.218 1.00 13.09 . 1 1435 85 ATOM C CA ILE B 285 . 17.342 23.176 -4.722 1.00 13.04 . 1 1436 85 ATOM C C ILE B 285 . 18.184 23.421 -3.483 1.00 13.14 . 1 1437 85 ATOM O O ILE B 285 . 18.133 24.518 -2.832 1.00 13.57 . 1 1438 85 ATOM C CB ILE B 285 . 17.456 24.209 -5.919 1.00 13.38 . 1 1439 85 ATOM C CG1 ILE B 285 . 16.419 23.888 -6.978 1.00 14.22 . 1 1440 85 ATOM C CG2 ILE B 285 . 18.928 24.282 -6.388 1.00 13.01 . 1 1441 85 ATOM C CD1 ILE B 285 . 16.618 22.687 -7.951 1.00 13.74 . 1 1442 86 ATOM N N GLY B 286 . 18.877 22.392 -3.008 1.00 11.93 . 1 1443 86 ATOM C CA GLY B 286 . 19.705 22.414 -1.819 1.00 9.79 . 1 1444 86 ATOM C C GLY B 286 . 21.121 22.830 -2.137 1.00 9.79 . 1 1445 86 ATOM O O GLY B 286 . 21.469 23.023 -3.302 1.00 10.27 . 1 1446 87 ATOM N N ARG B 287 . 21.951 22.923 -1.116 1.00 8.80 . 1 1447 87 ATOM C CA ARG B 287 . 23.345 23.354 -1.253 1.00 9.31 . 1 1448 87 ATOM C C ARG B 287 . 24.128 22.437 -2.199 1.00 9.37 . 1 1449 87 ATOM O O ARG B 287 . 25.062 22.974 -2.766 1.00 8.60 . 1 1450 87 ATOM C CB ARG B 287 . 23.992 23.345 0.130 1.00 8.39 . 1 1451 87 ATOM C CG ARG B 287 . 23.388 24.359 1.116 1.00 7.95 . 1 1452 87 ATOM C CD ARG B 287 . 24.286 24.437 2.317 1.00 8.57 . 1 1453 87 ATOM N NE ARG B 287 . 24.265 23.219 3.109 1.00 9.91 . 1 1454 87 ATOM C CZ ARG B 287 . 25.265 22.292 3.103 1.00 9.70 . 1 1455 87 ATOM N NH1 ARG B 287 . 25.147 21.168 3.836 1.00 9.80 . 1 1456 87 ATOM N NH2 ARG B 287 . 26.351 22.544 2.481 1.00 8.98 . 1 1457 88 ATOM N N ASN B 288 . 23.667 21.204 -2.436 1.00 9.10 . 1 1458 88 ATOM C CA ASN B 288 . 24.525 20.384 -3.376 1.00 11.68 . 1 1459 88 ATOM C C ASN B 288 . 24.597 20.977 -4.761 1.00 12.26 . 1 1460 88 ATOM O O ASN B 288 . 25.582 20.829 -5.526 1.00 13.34 . 1 1461 88 ATOM C CB ASN B 288 . 24.163 18.914 -3.342 1.00 11.72 . 1 1462 88 ATOM C CG ASN B 288 . 22.871 18.564 -4.007 1.00 12.41 . 1 1463 88 ATOM O OD1 ASN B 288 . 21.858 19.171 -3.651 1.00 13.52 . 1 1464 88 ATOM N ND2 ASN B 288 . 22.773 17.711 -5.042 1.00 13.01 . 1 1465 89 ATOM N N LEU B 289 . 23.512 21.574 -5.205 1.00 12.92 . 1 1466 89 ATOM C CA LEU B 289 . 23.388 22.156 -6.551 1.00 11.79 . 1 1467 89 ATOM C C LEU B 289 . 23.667 23.653 -6.479 1.00 12.40 . 1 1468 89 ATOM O O LEU B 289 . 24.169 24.208 -7.472 1.00 12.41 . 1 1469 89 ATOM C CB LEU B 289 . 22.101 21.708 -7.149 1.00 11.84 . 1 1470 89 ATOM C CG LEU B 289 . 21.788 20.268 -7.419 1.00 12.95 . 1 1471 89 ATOM C CD1 LEU B 289 . 20.650 20.162 -8.482 1.00 12.27 . 1 1472 89 ATOM C CD2 LEU B 289 . 23.039 19.566 -8.011 1.00 10.68 . 1 1473 90 ATOM N N LEU B 290 . 23.372 24.266 -5.350 1.00 13.35 . 1 1474 90 ATOM C CA LEU B 290 . 23.578 25.715 -5.191 1.00 14.33 . 1 1475 90 ATOM C C LEU B 290 . 25.067 26.028 -5.352 1.00 13.98 . 1 1476 90 ATOM O O LEU B 290 . 25.358 27.074 -5.933 1.00 15.57 . 1 1477 90 ATOM C CB LEU B 290 . 22.944 26.197 -3.877 1.00 12.48 . 1 1478 90 ATOM C CG LEU B 290 . 21.424 26.295 -3.807 1.00 12.55 . 1 1479 90 ATOM C CD1 LEU B 290 . 20.961 26.625 -2.391 1.00 11.33 . 1 1480 90 ATOM C CD2 LEU B 290 . 20.860 27.294 -4.787 1.00 10.49 . 1 1481 91 ATOM N N THR B 291 . 25.967 25.206 -4.831 1.00 14.78 . 1 1482 91 ATOM C CA THR B 291 . 27.375 25.416 -4.893 1.00 14.65 . 1 1483 91 ATOM C C THR B 291 . 27.870 25.194 -6.325 1.00 15.19 . 1 1484 91 ATOM O O THR B 291 . 28.885 25.785 -6.664 1.00 15.45 . 1 1485 91 ATOM C CB THR B 291 . 28.244 24.570 -3.903 1.00 14.69 . 1 1486 91 ATOM O OG1 THR B 291 . 27.764 23.184 -4.125 1.00 16.37 . 1 1487 91 ATOM C CG2 THR B 291 . 28.095 24.906 -2.450 1.00 15.04 . 1 1488 92 ATOM N N GLN B 292 . 27.197 24.384 -7.072 1.00 13.95 . 1 1489 92 ATOM C CA GLN B 292 . 27.512 24.050 -8.467 1.00 13.86 . 1 1490 92 ATOM C C GLN B 292 . 27.218 25.218 -9.371 1.00 14.20 . 1 1491 92 ATOM O O GLN B 292 . 27.891 25.345 -10.442 1.00 16.83 . 1 1492 92 ATOM C CB GLN B 292 . 26.692 22.829 -8.913 1.00 13.97 . 1 1493 92 ATOM C CG GLN B 292 . 27.312 21.528 -8.475 1.00 13.55 . 1 1494 92 ATOM C CD GLN B 292 . 26.899 20.473 -9.489 1.00 14.83 . 1 1495 92 ATOM O OE1 GLN B 292 . 26.522 20.829 -10.620 1.00 15.41 . 1 1496 92 ATOM N NE2 GLN B 292 . 26.820 19.247 -9.002 1.00 13.50 . 1 1497 93 ATOM N N ILE B 293 . 26.224 26.032 -9.039 1.00 13.78 . 1 1498 93 ATOM C CA ILE B 293 . 25.954 27.209 -9.910 1.00 13.16 . 1 1499 93 ATOM C C ILE B 293 . 26.594 28.464 -9.341 1.00 14.45 . 1 1500 93 ATOM O O ILE B 293 . 26.334 29.601 -9.853 1.00 17.23 . 1 1501 93 ATOM C CB ILE B 293 . 24.408 27.408 -10.137 1.00 11.58 . 1 1502 93 ATOM C CG1 ILE B 293 . 23.778 27.669 -8.727 1.00 10.45 . 1 1503 93 ATOM C CG2 ILE B 293 . 23.717 26.282 -10.892 1.00 10.29 . 1 1504 93 ATOM C CD1 ILE B 293 . 22.537 28.621 -8.869 1.00 12.19 . 1 1505 94 ATOM N N GLY B 294 . 27.318 28.348 -8.262 1.00 14.45 . 1 1506 94 ATOM C CA GLY B 294 . 28.039 29.424 -7.621 1.00 14.41 . 1 1507 94 ATOM C C GLY B 294 . 27.186 30.322 -6.748 1.00 14.49 . 1 1508 94 ATOM O O GLY B 294 . 27.541 31.492 -6.557 1.00 13.74 . 1 1509 95 ATOM N N CYS B 295 . 26.134 29.794 -6.163 1.00 14.79 1 1 1510 95 ATOM C CA CYS B 295 . 25.317 30.645 -5.261 1.00 15.40 1 1 1511 95 ATOM C C CYS B 295 . 25.957 30.925 -3.919 1.00 16.42 1 1 1512 95 ATOM O O CYS B 295 . 26.421 30.001 -3.151 1.00 18.15 1 1 1513 95 ATOM C CB CYS B 295 . 23.999 29.894 -5.039 1.00 15.53 1 1 1514 95 ATOM S SG CYS B 295 1 22.490 30.807 -4.959 0.50 15.87 1 1 1515 95 ATOM S SG CYS B 295 2 22.901 30.933 -4.011 0.50 12.55 1 1 1516 96 ATOM N N THR B 296 . 25.870 32.210 -3.513 1.00 15.50 . 1 1517 96 ATOM C CA THR B 296 . 26.332 32.631 -2.186 1.00 15.07 . 1 1518 96 ATOM C C THR B 296 . 25.258 33.524 -1.551 1.00 14.77 . 1 1519 96 ATOM O O THR B 296 . 24.454 34.097 -2.264 1.00 12.98 . 1 1520 96 ATOM C CB THR B 296 . 27.691 33.419 -2.258 1.00 14.64 . 1 1521 96 ATOM O OG1 THR B 296 . 27.290 34.670 -2.950 1.00 13.91 . 1 1522 96 ATOM C CG2 THR B 296 . 28.772 32.689 -3.070 1.00 14.74 . 1 1523 97 ATOM N N LEU B 297 . 25.274 33.517 -0.236 1.00 15.42 1 1 1524 97 ATOM C CA LEU B 297 . 24.359 34.385 0.565 1.00 16.08 1 1 1525 97 ATOM C C LEU B 297 . 25.221 35.650 0.889 1.00 18.16 1 1 1526 97 ATOM O O LEU B 297 . 26.410 35.407 1.275 1.00 17.03 1 1 1527 97 ATOM C CB LEU B 297 . 24.069 33.586 1.815 1.00 16.72 1 1 1528 97 ATOM C CG LEU B 297 1 22.950 32.613 1.927 0.50 15.65 1 1 1529 97 ATOM C CG LEU B 297 2 22.758 33.656 2.539 0.50 16.90 1 1 1530 97 ATOM C CD1 LEU B 297 1 23.089 31.821 3.232 0.50 15.92 1 1 1531 97 ATOM C CD1 LEU B 297 2 21.576 33.784 1.576 0.50 17.00 1 1 1532 97 ATOM C CD2 LEU B 297 1 21.617 33.364 1.957 0.50 16.44 1 1 1533 97 ATOM C CD2 LEU B 297 2 22.611 32.454 3.451 0.50 16.66 1 1 1534 98 ATOM N N ASN B 298 . 24.698 36.867 0.674 1.00 17.52 1 1 1535 98 ATOM C CA ASN B 298 . 25.505 38.047 0.971 1.00 20.09 1 1 1536 98 ATOM C C ASN B 298 . 24.719 39.038 1.833 1.00 21.29 1 1 1537 98 ATOM O O ASN B 298 . 23.515 39.247 1.649 1.00 20.38 1 1 1538 98 ATOM C CB ASN B 298 . 25.883 38.777 -0.390 1.00 21.09 1 1 1539 98 ATOM C CG ASN B 298 . 26.659 37.766 -1.225 1.00 22.25 1 1 1540 98 ATOM O OD1 ASN B 298 1 27.739 37.330 -0.765 0.50 21.81 1 1 1541 98 ATOM O OD1 ASN B 298 2 26.010 36.942 -1.923 0.50 22.12 1 1 1542 98 ATOM N ND2 ASN B 298 1 26.071 37.337 -2.326 0.50 22.30 1 1 1543 98 ATOM N ND2 ASN B 298 2 27.973 37.792 -1.141 0.50 22.22 1 1 1544 99 ATOM N N PHE B 299 . 25.397 39.713 2.732 1.00 23.37 . 1 1545 99 ATOM C CA PHE B 299 . 24.738 40.750 3.567 1.00 24.56 . 1 1546 99 ATOM C C PHE B 299 . 25.880 41.523 4.250 1.00 25.66 . 1 1547 99 ATOM O O PHE B 299 . 25.531 42.536 4.873 1.00 26.22 . 1 1548 99 ATOM C CB PHE B 299 . 23.724 40.233 4.569 1.00 25.28 . 1 1549 99 ATOM C CG PHE B 299 . 24.258 39.275 5.579 1.00 25.05 . 1 1550 99 ATOM C CD1 PHE B 299 . 24.480 39.664 6.883 1.00 25.94 . 1 1551 99 ATOM C CD2 PHE B 299 . 24.583 37.979 5.194 1.00 26.32 . 1 1552 99 ATOM C CE1 PHE B 299 . 24.998 38.775 7.826 1.00 26.11 . 1 1553 99 ATOM C CE2 PHE B 299 . 25.100 37.061 6.123 1.00 26.32 . 1 1554 99 ATOM C CZ PHE B 299 . 25.286 37.478 7.443 1.00 25.96 . 1 1555 99 ATOM O OXT PHE B 299 . 27.001 40.997 4.109 1.00 26.77 . 1 1556 #99 # TER . . PHE B 299 . . . . . . . 1 1557 100 ATOM C C ACE C 1 1 4.949 27.758 6.793 0.58 16.95 . 3 1558 100 ATOM O O ACE C 1 1 4.800 26.678 7.393 0.58 16.85 . 3 1559 100 ATOM C CH3 ACE C 1 1 4.171 29.012 7.116 0.58 17.27 . 3 1560 101 ATOM N N VAL C 2 1 5.930 27.841 5.869 0.58 16.43 . 3 1561 101 ATOM C CA VAL C 2 1 6.688 26.574 5.627 0.58 16.04 . 3 1562 101 ATOM C C VAL C 2 1 8.183 26.793 5.860 0.58 16.17 . 3 1563 101 ATOM O O VAL C 2 1 8.690 27.910 5.675 0.58 16.57 . 3 1564 101 ATOM C CB VAL C 2 1 6.529 26.178 4.139 0.58 15.92 . 3 1565 101 ATOM C CG1 VAL C 2 1 7.686 25.256 3.685 0.58 15.51 . 3 1566 101 ATOM C CG2 VAL C 2 1 5.166 25.563 3.805 0.58 16.10 . 3 1567 102 ATOM N N VAL C 3 1 8.838 25.670 6.185 0.58 15.53 . 3 1568 102 ATOM C CA VAL C 3 1 10.301 25.689 6.434 0.58 15.10 . 3 1569 102 ATOM C C VAL C 3 1 10.978 24.553 5.700 0.58 15.34 . 3 1570 102 ATOM O O VAL C 3 1 10.569 23.386 5.717 0.58 14.41 . 3 1571 102 ATOM C CB VAL C 3 1 10.418 25.590 7.983 0.58 15.38 . 3 1572 102 ATOM C CG1 VAL C 3 1 11.799 25.185 8.480 0.58 15.02 . 3 1573 102 ATOM C CG2 VAL C 3 1 9.895 26.911 8.621 0.58 14.68 . 3 1574 103 HETA N N STA C 4 1 12.126 24.878 5.008 0.58 15.30 . 3 1575 103 HETA C CA STA C 4 1 12.846 23.643 4.497 0.58 15.64 . 3 1576 103 HETA C CB STA C 4 1 12.228 23.417 3.092 0.58 14.66 . 3 1577 103 HETA C CG STA C 4 1 10.775 23.868 2.843 0.58 14.76 . 3 1578 103 HETA C CD1 STA C 4 1 10.485 24.264 1.386 0.58 14.53 . 3 1579 103 HETA C CD2 STA C 4 1 9.706 22.846 3.326 0.58 15.42 . 3 1580 103 HETA C CH STA C 4 1 14.377 23.783 4.659 0.58 16.09 . 3 1581 103 HETA O OH STA C 4 1 14.690 25.086 5.214 0.58 15.48 . 3 1582 103 HETA C CM STA C 4 1 15.073 22.755 5.634 0.58 16.56 . 3 1583 103 HETA C C STA C 4 1 14.767 21.286 5.304 0.58 16.67 . 3 1584 103 HETA O O STA C 4 1 13.666 20.739 5.524 0.58 16.86 . 3 1585 104 ATOM N N ALA C 5 1 15.827 20.674 4.766 0.58 16.24 . 3 1586 104 ATOM C CA ALA C 5 1 16.227 19.282 5.045 0.58 16.23 . 3 1587 104 ATOM C C ALA C 5 1 17.704 19.162 5.397 0.58 16.01 . 3 1588 104 ATOM O O ALA C 5 1 18.657 19.738 4.855 0.58 15.55 . 3 1589 104 ATOM C CB ALA C 5 1 15.855 18.433 3.797 0.58 16.43 . 3 1590 105 HETA N N STA C 6 1 17.913 18.389 6.465 0.58 16.21 . 3 1591 105 HETA C CA STA C 6 1 19.216 17.934 6.952 0.58 16.90 . 3 1592 105 HETA C CB STA C 6 1 19.416 18.441 8.425 0.58 16.80 . 3 1593 105 HETA C CG STA C 6 1 19.492 19.988 8.585 0.58 16.54 . 3 1594 105 HETA C CD1 STA C 6 1 18.069 20.593 8.553 0.58 16.56 . 3 1595 105 HETA C CD2 STA C 6 1 20.246 20.404 9.854 0.58 16.39 . 3 1596 105 HETA C CH STA C 6 1 19.248 16.400 6.717 0.58 17.28 . 3 1597 105 HETA O OH STA C 6 1 18.083 15.745 7.288 0.58 18.45 . 3 1598 105 HETA C CM STA C 6 1 19.317 15.994 5.211 0.58 16.63 . 3 1599 105 HETA C C STA C 6 1 20.347 14.858 5.001 0.58 16.77 . 3 1600 105 HETA O O STA C 6 1 20.936 14.302 5.936 0.58 16.53 . 3 1601 105 HETA O OXT STA C 6 1 20.573 14.552 3.703 0.58 16.89 . 3 1602 100 ATOM C C ACE C 1 2 19.663 15.657 6.261 0.42 18.88 . 3 1603 100 ATOM O O ACE C 1 2 18.768 14.830 6.422 0.42 18.41 . 3 1604 100 ATOM C CH3 ACE C 1 2 21.086 15.170 5.853 0.42 18.90 . 3 1605 101 ATOM N N VAL C 2 2 19.579 16.978 6.423 0.42 18.72 . 3 1606 101 ATOM C CA VAL C 2 2 18.393 17.753 6.824 0.42 18.71 . 3 1607 101 ATOM C C VAL C 2 2 18.101 18.853 5.793 0.42 18.43 . 3 1608 101 ATOM O O VAL C 2 2 18.939 19.560 5.243 0.42 18.17 . 3 1609 101 ATOM C CB VAL C 2 2 18.553 18.354 8.247 0.42 18.95 . 3 1610 101 ATOM C CG1 VAL C 2 2 17.633 19.570 8.512 0.42 19.16 . 3 1611 101 ATOM C CG2 VAL C 2 2 18.320 17.314 9.370 0.42 18.90 . 3 1612 102 ATOM N N VAL C 3 2 16.796 18.974 5.525 0.42 18.46 . 3 1613 102 ATOM C CA VAL C 3 2 16.297 19.938 4.510 0.42 18.90 . 3 1614 102 ATOM C C VAL C 3 2 15.234 20.788 5.209 0.42 19.17 . 3 1615 102 ATOM O O VAL C 3 2 14.234 20.296 5.765 0.42 19.76 . 3 1616 102 ATOM C CB VAL C 3 2 15.720 19.142 3.307 0.42 18.77 . 3 1617 102 ATOM C CG1 VAL C 3 2 14.739 19.932 2.422 0.42 18.88 . 3 1618 102 ATOM C CG2 VAL C 3 2 16.820 18.531 2.399 0.42 18.85 . 3 1619 103 HETA N N STA C 4 2 15.468 22.108 5.234 0.42 19.16 . 3 1620 103 HETA C CA STA C 4 2 14.510 22.962 6.010 0.42 19.17 . 3 1621 103 HETA C CB STA C 4 2 15.243 23.319 7.324 0.42 18.08 . 3 1622 103 HETA C CG STA C 4 2 15.448 22.213 8.387 0.42 17.45 . 3 1623 103 HETA C CD1 STA C 4 2 16.666 22.520 9.291 0.42 16.99 . 3 1624 103 HETA C CD2 STA C 4 2 14.185 21.975 9.242 0.42 16.75 . 3 1625 103 HETA C CH STA C 4 2 14.126 24.132 5.060 0.42 19.64 . 3 1626 103 HETA O OH STA C 4 2 14.996 24.019 3.889 0.42 18.69 . 3 1627 103 HETA C CM STA C 4 2 12.654 24.175 4.554 0.42 20.41 . 3 1628 103 HETA C C STA C 4 2 11.557 24.225 5.627 0.42 21.24 . 3 1629 103 HETA O O STA C 4 2 11.181 23.263 6.308 0.42 20.56 . 3 1630 104 ATOM N N ALA C 5 2 10.971 25.421 5.774 0.42 21.84 . 3 1631 104 ATOM C CA ALA C 5 2 9.726 25.622 6.544 0.42 22.35 . 3 1632 104 ATOM C C ALA C 5 2 8.709 26.437 5.751 0.42 23.07 . 3 1633 104 ATOM O O ALA C 5 2 8.950 27.538 5.213 0.42 23.24 . 3 1634 104 ATOM C CB ALA C 5 2 10.062 26.418 7.834 0.42 22.40 . 3 1635 105 HETA N N STA C 6 2 7.475 25.908 5.659 0.42 23.43 . 3 1636 105 HETA C CA STA C 6 2 6.456 26.682 4.907 0.42 24.33 . 3 1637 105 HETA C CB STA C 6 2 6.008 25.836 3.690 0.42 24.52 . 3 1638 105 HETA C CG STA C 6 2 6.817 26.025 2.369 0.42 24.54 . 3 1639 105 HETA C CD1 STA C 6 2 8.159 25.237 2.388 0.42 24.63 . 3 1640 105 HETA C CD2 STA C 6 2 5.967 25.606 1.160 0.42 24.48 . 3 1641 105 HETA C CH STA C 6 2 5.385 27.134 5.927 0.42 24.90 . 3 1642 105 HETA O OH STA C 6 2 4.742 25.961 6.471 0.42 25.11 . 3 1643 105 HETA C CM STA C 6 2 5.908 28.009 7.114 0.42 25.41 . 3 1644 105 HETA C C STA C 6 2 4.783 28.970 7.590 0.42 25.57 . 3 1645 105 HETA O O STA C 6 2 3.613 28.832 7.209 0.42 25.84 . 3 1646 105 HETA O OXT STA C 6 2 5.185 29.974 8.416 0.42 25.36 . 3 1647 . HETA O O HOH . 301 2 19.609 8.256 -11.680 0.50 3.60 2 5 1648 . HETA O O HOH . 302 1 14.145 4.715 -12.845 0.50 7.49 2 5 1649 . HETA O O HOH . 303 1 21.544 13.584 -0.953 0.42 6.33 2 5 1650 . HETA O O HOH . 304 1 20.414 7.240 -10.171 0.50 7.84 2 5 1651 . HETA O O HOH . 305 2 20.529 42.533 20.710 0.50 10.37 2 5 1652 . HETA O O HOH . 306 . 21.990 23.978 4.762 1.00 11.52 . 5 1653 . HETA O O HOH . 307 1 13.865 21.580 19.676 0.50 12.33 2 5 1654 . HETA O O HOH . 308 . 11.556 20.972 6.581 1.00 12.08 . 5 1655 . HETA O O HOH . 309 . 28.232 21.435 6.662 1.00 13.48 . 5 1656 . HETA O O HOH . 310 2 24.438 43.839 18.167 0.50 14.61 2 5 1657 . HETA O O HOH . 311 2 2.156 30.151 8.432 0.42 13.36 2 5 1658 . HETA O O HOH . 312 2 12.913 5.625 -11.946 0.50 17.13 2 5 1659 . HETA O O HOH . 313 . 20.992 22.291 6.269 1.00 16.90 . 5 1660 . HETA O O HOH . 314 . 16.396 40.359 1.094 1.00 15.76 . 5 1661 . HETA O O HOH . 315 2 13.061 22.336 21.051 0.50 16.22 2 5 1662 . HETA O O HOH . 316 1 22.604 15.472 -1.686 0.58 15.28 2 5 1663 . HETA O O HOH . 317 . 28.048 15.513 -11.350 1.00 17.32 . 5 1664 . HETA O O HOH . 318 . 16.186 45.185 -0.190 1.00 17.30 . 5 1665 . HETA O O HOH . 319 2 22.226 14.605 2.457 0.50 16.36 2 5 1666 . HETA O O HOH . 320 . 10.125 40.156 5.370 1.00 17.05 . 5 1667 . HETA O O HOH . 321 . 20.490 16.097 -3.172 1.00 17.33 . 5 1668 . HETA O O HOH . 322 . 16.332 28.397 21.360 1.00 18.08 . 5 1669 . HETA O O HOH . 323 . 30.893 26.875 -10.090 1.00 18.52 . 5 1670 . HETA O O HOH . 324 . 11.138 30.992 1.336 1.00 18.93 . 5 1671 . HETA O O HOH . 325 . 16.630 42.699 2.271 1.00 20.58 . 5 1672 . HETA O O HOH . 326 . 28.539 28.580 -2.558 1.00 19.02 . 5 1673 . HETA O O HOH . 327 . 14.805 29.343 28.071 1.00 20.30 . 5 1674 . HETA O O HOH . 328 . 1.644 36.373 18.428 1.00 21.62 . 5 1675 . HETA O O HOH . 329 . 14.451 45.047 11.620 1.00 22.76 . 5 1676 . HETA O O HOH . 330 2 19.503 40.262 21.157 0.50 22.77 2 5 1677 . HETA O O HOH . 331 . 16.938 45.838 11.029 1.00 25.82 . 5 1678 . HETA O O HOH . 332 . 9.692 28.730 2.191 1.00 23.06 . 5 1679 . HETA O O HOH . 333 . 11.714 39.207 -3.092 1.00 24.66 . 5 1680 . HETA O O HOH . 334 . 25.412 12.832 -8.558 1.00 24.20 . 5 1681 . HETA O O HOH . 335 . 10.378 18.322 14.455 1.00 25.44 . 5 1682 . HETA CL CL CL . 336 . 25.517 16.297 -6.059 1.00 25.69 . 4 1683 . HETA O O HOH . 337 . 4.199 38.495 21.414 1.00 26.56 . 5 1684 . HETA O O HOH . 338 . 12.888 36.305 -3.863 1.00 26.82 . 5 1685 . HETA O O HOH . 339 . 17.128 16.768 -17.355 1.00 26.33 . 5 1686 . HETA O O HOH . 340 . 6.079 14.061 -4.567 1.00 27.10 . 5 1687 . HETA O O HOH . 341 . 32.239 26.863 7.115 1.00 27.56 . 5 1688 . HETA O O HOH . 342 . 28.515 27.966 4.557 1.00 27.34 . 5 1689 . HETA CL CL CL . 343 . 8.030 39.142 10.823 1.00 27.91 . 4 1690 . HETA O O HOH . 344 . 9.613 38.213 4.224 1.00 28.60 . 5 1691 . HETA O O HOH . 345 . 8.529 35.703 5.266 1.00 26.67 . 5 1692 . HETA O O HOH . 346 . 9.292 17.708 -9.559 1.00 27.52 . 5 1693 . HETA O O HOH . 347 . 6.818 23.257 -10.636 1.00 27.35 . 5 1694 . HETA O O HOH . 348 . 5.002 16.182 -3.395 1.00 29.66 . 5 1695 . HETA O O HOH . 349 . 20.127 7.565 4.667 1.00 28.84 . 5 1696 . HETA O O HOH . 350 . 6.407 34.773 -0.905 1.00 27.81 . 5 1697 . HETA O O HOH . 351 2 26.692 38.809 20.152 0.50 29.74 2 5 1698 . HETA O O HOH . 352 . 22.849 26.978 20.179 1.00 29.24 . 5 1699 . HETA O O HOH . 353 . 6.659 25.399 21.439 1.00 29.33 . 5 1700 . HETA O O HOH . 354 . 14.031 31.541 -13.122 1.00 29.49 . 5 1701 . HETA O O HOH . 355 . 27.828 32.015 -10.716 1.00 31.25 . 5 1702 . HETA O O HOH . 356 . 27.212 18.681 -5.983 1.00 31.03 . 5 1703 . HETA O O HOH . 357 . 4.159 19.858 17.527 1.00 31.76 . 5 1704 . HETA O O HOH . 358 . 20.873 -1.616 -5.508 1.00 32.98 . 5 1705 . HETA O O HOH . 359 . 7.475 36.699 2.155 1.00 32.16 . 5 1706 . HETA O O HOH . 360 . 27.586 20.757 -1.306 1.00 30.93 . 5 1707 . HETA O O HOH . 361 . 6.483 20.469 -9.813 1.00 32.59 . 5 1708 . HETA O O HOH . 362 . 7.191 15.718 3.496 1.00 32.60 . 5 1709 . HETA O O HOH . 363 . 6.779 39.788 22.081 1.00 35.86 . 5 1710 . HETA O O HOH . 364 . 28.250 34.103 -5.656 1.00 34.06 . 5 1711 . HETA O O HOH . 365 . 4.014 31.299 -2.383 1.00 34.12 . 5 1712 . HETA O O HOH . 366 . 24.900 39.886 -7.771 1.00 35.93 . 5 1713 . HETA O O HOH . 367 . 25.276 19.601 0.359 1.00 33.76 . 5 1714 . HETA O O HOH . 368 . 0.744 34.210 25.756 1.00 35.37 . 5 1715 . HETA O O HOH . 369 . 20.331 1.241 -6.790 1.00 34.76 . 5 1716 . HETA O O HOH . 370 . 14.813 16.187 11.513 1.00 33.52 . 5 1717 . HETA O O HOH . 371 . 11.105 32.356 -12.040 1.00 36.20 . 5 1718 . HETA O O HOH . 372 . 17.164 39.941 22.236 1.00 36.67 . 5 1719 . HETA O O HOH . 373 1 18.856 42.804 22.226 0.50 26.65 2 5 1720 . HETA O O HOH . 374 . 7.773 24.045 -6.218 1.00 36.71 . 5 1721 . HETA O O HOH . 375 . 10.617 6.038 -1.435 1.00 38.25 . 5 1722 . HETA O O HOH . 376 . 17.714 20.272 -18.200 1.00 39.33 . 5 1723 . HETA O O HOH . 377 . 28.648 20.641 -3.619 1.00 36.83 . 5 1724 . HETA O O HOH . 378 . 8.255 8.857 1.602 1.00 39.95 . 5 1725 . HETA O O HOH . 379 . 4.627 22.272 -7.158 1.00 38.02 . 5 1726 . HETA O O HOH . 380 . 33.132 40.146 5.257 1.00 39.23 . 5 1727 . HETA O O HOH . 381 . 25.986 26.500 -19.146 1.00 38.51 . 5 1728 . HETA O O HOH . 382 . 7.741 22.352 -20.071 1.00 41.04 . 5 1729 . HETA O O HOH . 383 . 21.532 6.178 -8.055 1.00 39.97 . 5 1730 . HETA O O HOH . 384 . 4.681 23.216 20.780 1.00 37.57 . 5 1731 . HETA O O HOH . 385 . 12.520 3.839 -14.192 1.00 40.11 . 5 1732 . HETA O O HOH . 386 . 31.006 27.199 2.955 1.00 37.81 . 5 1733 . HETA O O HOH . 387 . 16.363 26.835 -16.616 1.00 39.62 . 5 1734 . HETA O O HOH . 388 . 24.771 45.458 -4.999 1.00 40.16 . 5 1735 . HETA O O HOH . 389 . 31.898 30.773 2.921 1.00 40.25 . 5 1736 . HETA O O HOH . 390 . 25.886 18.383 2.355 1.00 43.30 . 5 1737 . HETA O O HOH . 391 . 25.476 38.121 16.824 1.00 40.42 . 5 1738 . HETA O O HOH . 392 . 5.770 29.056 -3.545 1.00 40.24 . 5 1739 . HETA O O HOH . 393 . 19.488 13.412 -16.432 1.00 41.06 . 5 1740 . HETA O O HOH . 394 . 21.319 44.274 0.457 1.00 41.48 . 5 1741 . HETA O O HOH . 395 . 6.843 10.320 -11.022 1.00 43.17 . 5 1742 . HETA O O HOH . 396 . 12.634 41.540 22.091 1.00 40.77 . 5 1743 . HETA O O HOH . 397 . 6.459 16.502 -11.197 1.00 41.45 . 5 1744 . HETA O O HOH . 398 . 15.253 36.377 -9.637 1.00 39.10 . 5 1745 . HETA O O HOH . 399 . 28.625 37.031 -5.352 1.00 42.77 . 5 1746 . HETA O O HOH . 400 . 8.831 34.292 -6.159 1.00 43.18 . 5 1747 . HETA O O HOH . 401 . 5.493 13.906 4.165 1.00 42.14 . 5 1748 . HETA O O HOH . 402 . 9.801 8.891 -3.116 1.00 42.42 . 5 1749 . HETA O O HOH . 403 . 14.021 44.353 -3.403 1.00 40.40 . 5 1750 . HETA O O HOH . 404 . 8.655 16.686 -21.639 1.00 44.77 . 5 1751 . HETA O O HOH . 405 . 5.632 16.270 14.842 1.00 44.62 . 5 1752 . HETA O O HOH . 406 . 5.260 33.466 1.411 1.00 45.78 . 5 1753 . HETA O O HOH . 407 . 22.083 3.712 -7.841 1.00 45.29 . 5 1754 . HETA O O HOH . 408 . 21.015 25.185 16.148 1.00 45.07 . 5 1755 . HETA O O HOH . 409 . 29.887 27.688 14.520 1.00 43.62 . 5 1756 . HETA O O HOH . 410 . 26.275 9.711 -3.949 1.00 49.36 . 5 1757 . HETA O O HOH . 411 . 10.883 7.172 -12.465 1.00 46.19 . 5 1758 . HETA O O HOH . 412 . 7.205 40.859 14.928 1.00 47.41 . 5 1759 . HETA O O HOH . 413 . 12.764 5.053 -0.304 1.00 50.56 . 5 1760 . HETA O O HOH . 414 . 9.344 4.655 -4.396 1.00 48.68 . 5 1761 . HETA O O HOH . 415 . 12.655 37.357 -6.615 1.00 47.87 . 5 1762 . HETA O O HOH . 416 . 19.610 26.505 21.044 1.00 48.34 . 5 1763 . HETA O O HOH . 417 1 21.004 14.012 8.331 0.58 40.50 2 5 1764 . HETA O O HOH . 418 . 6.733 20.961 21.723 1.00 52.72 . 5 1765 . HETA O O HOH . 419 . 16.070 21.444 -24.165 1.00 49.16 . 5 1766 . HETA O O HOH . 420 . 8.910 16.906 15.590 1.00 49.88 . 5 1767 . HETA O O HOH . 421 . 22.527 45.937 5.985 1.00 48.55 . 5 1768 . HETA O O HOH . 422 . 20.436 23.403 21.573 1.00 51.10 . 5 1769 . HETA O O HOH . 423 . 31.118 30.136 -4.999 1.00 49.20 . 5 1770 . HETA O O HOH . 424 . 13.210 34.486 -7.308 1.00 51.41 . 5 1771 . HETA O O HOH . 425 . 10.762 19.938 -23.526 1.00 51.66 . 5 1772 . HETA O O HOH . 426 . 6.741 40.273 -0.759 1.00 50.77 . 5 1773 . HETA O O HOH . 427 . 32.100 34.057 4.917 1.00 50.70 . 5 1774 . HETA O O HOH . 428 . 21.934 6.817 3.009 1.00 54.33 . 5 1775 . HETA O O HOH . 429 . 22.381 29.129 -20.269 1.00 52.55 . 5 1776 . HETA O O HOH . 430 . 24.564 42.064 -2.572 1.00 49.54 . 5 1777 . HETA O O HOH . 431 . 25.664 6.947 -5.064 1.00 50.54 . 5 1778 . HETA O O HOH . 432 . 7.971 13.332 13.757 1.00 50.51 . 5 1779 . HETA O O HOH . 433 . 19.934 46.439 6.673 1.00 52.28 . 5 1780 . HETA O O HOH . 434 . 21.768 0.286 -3.996 1.00 51.04 . 5 1781 . HETA O O HOH . 435 . 28.418 39.504 -4.907 1.00 54.91 . 5 1782 . HETA O O HOH . 436 . 31.515 29.312 -8.555 1.00 55.72 . 5 1783 . HETA O O HOH . 437 . 29.069 25.318 8.683 1.00 54.42 . 5 1784 . HETA O O HOH . 438 . 21.471 34.236 -14.917 1.00 52.70 . 5 1785 . HETA O O HOH . 439 . 29.320 28.794 7.803 1.00 53.04 . 5 1786 . HETA O O HOH . 440 . 4.229 15.631 11.962 1.00 52.37 . 5 1787 . HETA O O HOH . 441 . 11.002 11.470 12.389 1.00 53.16 . 5 1788 . HETA O O HOH . 442 . 18.146 4.576 3.604 1.00 52.16 . 5 1789 . HETA O O HOH . 443 . 10.346 13.385 -16.341 1.00 53.44 . 5 1790 . HETA O O HOH . 444 . 2.737 25.920 0.429 1.00 54.13 . 5 1791 . HETA O O HOH . 445 . 5.877 33.211 -3.902 1.00 52.25 . 5 1792 . HETA O O HOH . 446 . 1.657 39.855 13.193 1.00 57.40 . 5 1793 . HETA O O HOH . 447 . 28.044 34.368 13.262 1.00 52.39 . 5 1794 . HETA O O HOH . 448 . 14.519 34.117 -11.475 1.00 57.06 . 5 1795 . HETA O O HOH . 449 . 4.065 37.065 11.353 1.00 61.58 . 5 1796 . HETA O O HOH . 450 . -2.347 35.511 23.276 1.00 58.33 . 5 1797 . HETA O O HOH . 451 . 29.391 36.502 15.127 1.00 57.27 . 5 1798 . HETA O O HOH . 452 . 6.526 13.023 -14.337 1.00 56.35 . 5 1799 . HETA O O HOH . 453 . 18.486 9.101 9.149 1.00 56.86 . 5 1800 . HETA O O HOH . 454 . 1.871 32.853 -0.794 1.00 55.39 . 5 1801 . HETA O O HOH . 455 . 15.348 33.876 27.425 1.00 60.14 . 5 1802 . HETA O O HOH . 456 . 24.620 21.870 11.410 1.00 55.03 . 5 1803 . HETA O O HOH . 457 . 22.645 22.695 14.892 1.00 61.88 . 5 1804 . HETA O O HOH . 458 . 21.000 3.439 -15.064 1.00 55.47 . 5 1805 . HETA O O HOH . 459 . 27.668 25.257 -13.130 1.00 56.85 . 5 1806 . HETA O O HOH . 460 . 12.551 16.056 13.298 1.00 58.82 . 5 1807 . HETA O O HOH . 461 . 26.521 41.124 -3.405 1.00 63.59 . 5 1808 . HETA O O HOH . 462 . 6.096 27.068 -5.213 1.00 58.17 . 5 1809 . HETA O O HOH . 463 . 21.875 7.380 -0.272 1.00 58.23 . 5 1810 . HETA O O HOH . 464 . -2.584 31.731 23.419 1.00 58.88 . 5 1811 . HETA O O HOH . 465 . 1.175 17.871 14.292 1.00 58.68 . 5 1812 . HETA O O HOH . 466 . 25.304 47.424 17.654 1.00 64.11 . 5 1813 . HETA O O HOH . 467 . 20.744 10.521 5.168 1.00 64.36 . 5 1814 . HETA O O HOH . 468 . 1.783 29.137 4.181 1.00 60.69 . 5 1815 . HETA O O HOH . 469 . 4.853 25.600 -8.919 1.00 59.74 . 5 1816 . HETA O O HOH . 470 . 11.169 34.522 31.326 1.00 63.37 . 5 1817 . HETA O O HOH . 471 . 8.171 28.125 -15.103 1.00 60.67 . 5 1818 . HETA O O HOH . 472 . 22.143 17.188 10.848 1.00 64.29 . 5 1819 #################### # # # DATABASE_2 # # # #################### _database_2.database_id PDB _database_2.database_code 5HVP #################### # # # DATABASE_PDB_REV # # # #################### loop_ _database_PDB_rev.date_original _database_PDB_rev.num _database_PDB_rev.date _database_PDB_rev.mod_type _database_PDB_rev.status _database_PDB_rev.replaced_by _database_PDB_rev.replaces 1990-04-30 1 1991-10-15 0 . . . #################### # # # STRUCT_BIOL # # # #################### loop_ _struct_biol.id _struct_biol.details 5HVP 'HYDROLASE(ACID PROTEINASE) ' A . B . C . loop_ _struct_biol_gen.biol_id _struct_biol_gen.asym_id _struct_biol_gen.symmetry _struct_biol_gen.details 5HVP A 1_555 . 5HVP B 1_555 . 5HVP C 1_555 . 5HVP CL 1_555 . 5HVP HOH 1_555 . A A 1_555 . B B 1_555 . C C 1_555 . ############################## # # # STRUCT_CONN_TYPE # # # ############################## loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference . 'unknown bond type from PDB entry' ? saltbr 'salt bridge from PDB entry' ? hydrog 'hydrogen bond from PDB entry' ? ############################## # # # STRUCT_CONN # # # ############################## loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_alt_id _struct_conn.ptnr1_role _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_alt_id _struct_conn.ptnr2_role _struct_conn.ptnr2_symmetry _struct_conn.pdb2cif_ptnr1_atom_site_id _struct_conn.ptnr1_label_seq_id _struct_conn.pdb2cif_ptnr2_atom_site_id _struct_conn.ptnr2_label_seq_id 1 . STA C 4 CA 1 . . STA C 4 N 1 . . 1576 103 1575 103 2 . STA C 4 CA 1 . . STA C 4 CB 1 . . 1576 103 1577 103 3 . STA C 4 CA 1 . . STA C 4 CH 1 . . 1576 103 1581 103 4 . STA C 4 CB 1 . . STA C 4 CG 1 . . 1577 103 1578 103 5 . STA C 4 CD1 1 . . STA C 4 CG 1 . . 1579 103 1578 103 6 . STA C 4 CD2 1 . . STA C 4 CG 1 . . 1580 103 1578 103 7 . STA C 4 CH 1 . . STA C 4 OH 1 . . 1581 103 1582 103 8 . STA C 4 CH 1 . . STA C 4 CM 1 . . 1581 103 1583 103 9 . STA C 4 C 1 . . STA C 4 CM 1 . . 1584 103 1583 103 10 . STA C 4 C 1 . . STA C 4 O 1 . . 1584 103 1585 103 11 . STA C 6 CA 1 . . STA C 6 N 1 . . 1592 105 1591 105 12 . STA C 6 CA 1 . . STA C 6 CB 1 . . 1592 105 1593 105 13 . STA C 6 CA 1 . . STA C 6 CH 1 . . 1592 105 1597 105 14 . STA C 6 CB 1 . . STA C 6 CG 1 . . 1593 105 1594 105 15 . STA C 6 CD1 1 . . STA C 6 CG 1 . . 1595 105 1594 105 16 . STA C 6 CD2 1 . . STA C 6 CG 1 . . 1596 105 1594 105 17 . STA C 6 CH 1 . . STA C 6 OH 1 . . 1597 105 1598 105 18 . STA C 6 CH 1 . . STA C 6 CM 1 . . 1597 105 1599 105 19 . STA C 6 C 1 . . STA C 6 CM 1 . . 1600 105 1599 105 20 . STA C 6 C 1 . . STA C 6 O 1 . . 1600 105 1601 105 21 . STA C 6 C 1 . . STA C 6 OXT 1 . . 1600 105 1602 105 22 . STA C 4 CA 2 . . STA C 4 N 2 . . 1621 103 1620 103 23 . STA C 4 CA 2 . . STA C 4 CB 2 . . 1621 103 1622 103 24 . STA C 4 CA 2 . . STA C 4 CH 2 . . 1621 103 1626 103 25 . STA C 4 CB 2 . . STA C 4 CG 2 . . 1622 103 1623 103 26 . STA C 4 CD1 2 . . STA C 4 CG 2 . . 1624 103 1623 103 27 . STA C 4 CD2 2 . . STA C 4 CG 2 . . 1625 103 1623 103 28 . STA C 4 CH 2 . . STA C 4 OH 2 . . 1626 103 1627 103 29 . STA C 4 CH 2 . . STA C 4 CM 2 . . 1626 103 1628 103 30 . STA C 4 C 2 . . STA C 4 CM 2 . . 1629 103 1628 103 31 . STA C 4 C 2 . . STA C 4 O 2 . . 1629 103 1630 103 32 . STA C 6 CA 2 . . STA C 6 N 2 . . 1637 105 1636 105 33 . STA C 6 CA 2 . . STA C 6 CB 2 . . 1637 105 1638 105 34 . STA C 6 CA 2 . . STA C 6 CH 2 . . 1637 105 1642 105 35 . STA C 6 CB 2 . . STA C 6 CG 2 . . 1638 105 1639 105 36 . STA C 6 CD1 2 . . STA C 6 CG 2 . . 1640 105 1639 105 37 . STA C 6 CD2 2 . . STA C 6 CG 2 . . 1641 105 1639 105 38 . STA C 6 CH 2 . . STA C 6 OH 2 . . 1642 105 1643 105 39 . STA C 6 CH 2 . . STA C 6 CM 2 . . 1642 105 1644 105 40 . STA C 6 C 2 . . STA C 6 CM 2 . . 1645 105 1644 105 41 . STA C 6 C 2 . . STA C 6 O 2 . . 1645 105 1646 105 42 . STA C 6 C 2 . . STA C 6 OXT 2 . . 1645 105 1647 105 #################### # # # STRUCT_CONF # # # #################### loop_ _struct_conf_type.id _struct_conf_type.criteria _struct_conf_type.reference HELX_RH_AL_P 'From PDB' . TURN_P 'From PDB' . loop_ _struct_conf.id _struct_conf.conf_type_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_auth_seq_id _struct_conf.details _struct_conf.beg_label_seq_id _struct_conf.end_label_seq_id helix_H1 HELX_RH_AL_P ARG A 87 GLN A 92 'RIGHT-HANDED ALPHA HELIX' 87 92 helix_H2 HELX_RH_AL_P ARG B 287 GLN B 292 'RIGHT-HANDED ALPHA HELIX' 87 92 turn_T1 TURN_P ILE A 15 GLN A 18 'TYPE I(PRIME)' 15 18 turn_T2 TURN_P GLY A 49 GLY A 52 'TYPE II' 49 52 turn_T3 TURN_P ILE A 66 HIS A 69 'TYPE I(PRIME)' 66 69 turn_T4 TURN_P THR A 91 GLY A 94 'TYPE I' 91 94 turn_T5 TURN_P ILE B 215 GLN B 218 'TYPE I(PRIME)' 15 18 turn_T6 TURN_P GLY B 249 GLY B 252 'TYPE I' 49 52 turn_T7 TURN_P ILE B 266 HIS B 269 'TYPE I(PRIME)' 66 69 turn_T8 TURN_P THR B 291 GLY B 294 'TYPE I' 91 94 ################ # # # STRUCT_SHEET # # # ################ loop_ _struct_sheet.id _struct_sheet.number_strands S1 4 S2 2 S3 3 S4 2 S5 2 S6 2 S7 3 S8 2 S9 2 loop_ _struct_sheet_hbond.sheet_id _struct_sheet_hbond.range_id_1 _struct_sheet_hbond.range_id_2 _struct_sheet_hbond.range_1_beg_auth_seq_id _struct_sheet_hbond.range_1_beg_label_atom_id _struct_sheet_hbond.range_2_beg_auth_seq_id _struct_sheet_hbond.range_2_beg_label_atom_id _struct_sheet_hbond.range_1_end_auth_seq_id _struct_sheet_hbond.range_1_end_label_atom_id _struct_sheet_hbond.range_2_end_auth_seq_id _struct_sheet_hbond.range_2_end_label_atom_id _struct_sheet_hbond.range_1_beg_label_seq_id _struct_sheet_hbond.range_2_beg_label_seq_id _struct_sheet_hbond.range_1_end_label_seq_id _struct_sheet_hbond.range_2_end_label_seq_id S1 1_S1 2_S1 3 N 297 O 3 N 297 O 3 97 3 97 S1 2_S1 3_S1 298 N 96 O 298 N 96 O 98 96 98 96 S1 3_S1 4_S1 97 N 203 O 97 N 203 O 97 3 97 3 S2 1_S2 2_S2 11 N 22 O 11 N 22 O 11 22 11 22 S3 1_S3 2_S3 23 N 83 O 23 N 83 O 23 83 23 83 S3 2_S3 3_S3 84 O 32 N 84 O 32 N 84 32 84 32 S4 1_S4 2_S4 43 N 58 O 43 N 58 O 43 58 43 58 S5 1_S5 2_S5 62 O 73 N 62 O 73 N 62 73 62 73 S6 1_S6 2_S6 211 N 222 O 211 N 222 O 11 22 11 22 S7 1_S7 2_S7 223 N 283 O 223 N 283 O 23 83 23 83 S7 2_S7 3_S7 284 O 232 N 284 O 232 N 84 32 84 32 S8 1_S8 2_S8 243 N 258 O 243 N 258 O 43 58 43 58 S9 1_S9 2_S9 262 O 273 N 262 O 273 N 62 73 62 73 loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense S1 1_S1 2_S1 +1 anti-parallel S1 2_S1 3_S1 +1 anti-parallel S1 3_S1 4_S1 +1 anti-parallel S2 1_S2 2_S2 +1 anti-parallel S3 1_S3 2_S3 +1 parallel S3 2_S3 3_S3 +1 anti-parallel S4 1_S4 2_S4 +1 anti-parallel S5 1_S5 2_S5 +1 anti-parallel S6 1_S6 2_S6 +1 anti-parallel S7 1_S7 2_S7 +1 parallel S7 2_S7 3_S7 +1 anti-parallel S8 1_S8 2_S8 +1 anti-parallel S9 1_S9 2_S9 +1 anti-parallel loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_auth_seq_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.end_label_seq_id S1 1_S1 PRO A 1 LEU A 5 1 5 S1 2_S1 CYS B 295 PHE B 299 95 99 S1 3_S1 CYS A 95 PHE A 99 95 99 S1 4_S1 PRO B 201 LEU B 205 1 5 S2 1_S2 VAL A 11 ILE A 15 11 15 S2 2_S2 GLN A 18 ALA A 22 18 22 S3 1_S3 ALA A 22 LEU A 24 22 24 S3 2_S3 ASN A 83 GLY A 86 83 86 S3 3_S3 ASP A 30 VAL A 32 30 32 S4 1_S4 LYS A 43 GLY A 49 43 49 S4 2_S4 GLY A 52 GLN A 58 52 58 S5 1_S5 ILE A 62 ILE A 66 62 66 S5 2_S5 HIS A 69 GLY A 73 69 73 S6 1_S6 VAL B 211 ILE B 215 11 15 S6 2_S6 GLN B 218 ALA B 222 18 22 S7 1_S7 ALA B 222 LEU B 224 22 24 S7 2_S7 ASN B 283 GLY B 286 83 86 S7 3_S7 ASP B 230 VAL B 232 30 32 S8 1_S8 LYS B 243 GLY B 249 43 49 S8 2_S8 GLY B 252 GLN B 258 52 58 S9 1_S9 ILE B 262 ILE B 266 62 66 S9 2_S9 HIS B 269 GLY B 273 69 73 ########################## # # # PDBX_POLY_SEQ_SCHEME # # # ########################## loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.auth_num _pdbx_poly_seq_scheme.pdb_strand_id A 1 1 PRO 1 1_S1 A 1 2 GLN 2 1_S1 A 1 3 ILE 3 1_S1 A 1 4 THR 4 1_S1 A 1 5 LEU 5 1_S1 A 1 6 TRP 6 . A 1 7 GLN 7 . A 1 8 ARG 8 . A 1 9 PRO 9 . A 1 10 LEU 10 . A 1 11 VAL 11 1_S2 A 1 12 THR 12 1_S2 A 1 13 ILE 13 1_S2 A 1 14 LYS 14 1_S2 A 1 15 ILE 15 1_S2 A 1 16 GLY 16 . A 1 17 GLY 17 . A 1 18 GLN 18 2_S2 A 1 19 LEU 19 2_S2 A 1 20 LYS 20 2_S2 A 1 21 GLU 21 2_S2 A 1 22 ALA 22 1_S3 A 1 23 LEU 23 1_S3 A 1 24 LEU 24 1_S3 A 1 25 ASP 25 . A 1 26 THR 26 . A 1 27 GLY 27 . A 1 28 ALA 28 . A 1 29 ASP 29 . A 1 30 ASP 30 3_S3 A 1 31 THR 31 3_S3 A 1 32 VAL 32 3_S3 A 1 33 LEU 33 . A 1 34 GLU 34 . A 1 35 GLU 35 . A 1 36 MET 36 . A 1 37 ASN 37 . A 1 38 LEU 38 . A 1 39 PRO 39 . A 1 40 GLY 40 . A 1 41 ARG 41 . A 1 42 TRP 42 . A 1 43 LYS 43 1_S4 A 1 44 PRO 44 1_S4 A 1 45 LYS 45 1_S4 A 1 46 MET 46 1_S4 A 1 47 ILE 47 1_S4 A 1 48 GLY 48 1_S4 A 1 49 GLY 49 1_S4 A 1 50 ILE 50 . A 1 51 GLY 51 . A 1 52 GLY 52 2_S4 A 1 53 PHE 53 2_S4 A 1 54 ILE 54 2_S4 A 1 55 LYS 55 2_S4 A 1 56 VAL 56 2_S4 A 1 57 ARG 57 2_S4 A 1 58 GLN 58 2_S4 A 1 59 TYR 59 . A 1 60 ASP 60 . A 1 61 GLN 61 . A 1 62 ILE 62 1_S5 A 1 63 LEU 63 1_S5 A 1 64 ILE 64 1_S5 A 1 65 GLU 65 1_S5 A 1 66 ILE 66 1_S5 A 1 67 CYS 67 . A 1 68 GLY 68 . A 1 69 HIS 69 2_S5 A 1 70 LYS 70 2_S5 A 1 71 ALA 71 2_S5 A 1 72 ILE 72 2_S5 A 1 73 GLY 73 2_S5 A 1 74 THR 74 . A 1 75 VAL 75 . A 1 76 LEU 76 . A 1 77 VAL 77 . A 1 78 GLY 78 . A 1 79 PRO 79 . A 1 80 THR 80 . A 1 81 PRO 81 . A 1 82 VAL 82 . A 1 83 ASN 83 2_S3 A 1 84 ILE 84 2_S3 A 1 85 ILE 85 2_S3 A 1 86 GLY 86 2_S3 A 1 87 ARG 87 . A 1 88 ASN 88 . A 1 89 LEU 89 . A 1 90 LEU 90 . A 1 91 THR 91 . A 1 92 GLN 92 . A 1 93 ILE 93 . A 1 94 GLY 94 . A 1 95 CYS 95 3_S1 A 1 96 THR 96 3_S1 A 1 97 LEU 97 3_S1 A 1 98 ASN 98 3_S1 A 1 99 PHE 99 3_S1 B 1 1 PRO 201 . B 1 2 GLN 202 . B 1 3 ILE 203 . B 1 4 THR 204 . B 1 5 LEU 205 . B 1 6 TRP 206 . B 1 7 GLN 207 . B 1 8 ARG 208 . B 1 9 PRO 209 . B 1 10 LEU 210 . B 1 11 VAL 211 . B 1 12 THR 212 . B 1 13 ILE 213 . B 1 14 LYS 214 . B 1 15 ILE 215 . B 1 16 GLY 216 . B 1 17 GLY 217 . B 1 18 GLN 218 . B 1 19 LEU 219 . B 1 20 LYS 220 . B 1 21 GLU 221 . B 1 22 ALA 222 . B 1 23 LEU 223 . B 1 24 LEU 224 . B 1 25 ASP 225 . B 1 26 THR 226 . B 1 27 GLY 227 . B 1 28 ALA 228 . B 1 29 ASP 229 . B 1 30 ASP 230 . B 1 31 THR 231 . B 1 32 VAL 232 . B 1 33 LEU 233 . B 1 34 GLU 234 . B 1 35 GLU 235 . B 1 36 MET 236 . B 1 37 ASN 237 . B 1 38 LEU 238 . B 1 39 PRO 239 . B 1 40 GLY 240 . B 1 41 ARG 241 . B 1 42 TRP 242 . B 1 43 LYS 243 . B 1 44 PRO 244 . B 1 45 LYS 245 . B 1 46 MET 246 . B 1 47 ILE 247 . B 1 48 GLY 248 . B 1 49 GLY 249 . B 1 50 ILE 250 . B 1 51 GLY 251 . B 1 52 GLY 252 . B 1 53 PHE 253 . B 1 54 ILE 254 . B 1 55 LYS 255 . B 1 56 VAL 256 . B 1 57 ARG 257 . B 1 58 GLN 258 . B 1 59 TYR 259 . B 1 60 ASP 260 . B 1 61 GLN 261 . B 1 62 ILE 262 . B 1 63 LEU 263 . B 1 64 ILE 264 . B 1 65 GLU 265 . B 1 66 ILE 266 . B 1 67 CYS 267 . B 1 68 GLY 268 . B 1 69 HIS 269 . B 1 70 LYS 270 . B 1 71 ALA 271 . B 1 72 ILE 272 . B 1 73 GLY 273 . B 1 74 THR 274 . B 1 75 VAL 275 . B 1 76 LEU 276 . B 1 77 VAL 277 . B 1 78 GLY 278 . B 1 79 PRO 279 . B 1 80 THR 280 . B 1 81 PRO 281 . B 1 82 VAL 282 . B 1 83 ASN 283 . B 1 84 ILE 284 . B 1 85 ILE 285 . B 1 86 GLY 286 . B 1 87 ARG 287 . B 1 88 ASN 288 . B 1 89 LEU 289 . B 1 90 LEU 290 . B 1 91 THR 291 . B 1 92 GLN 292 . B 1 93 ILE 293 . B 1 94 GLY 294 . B 1 95 CYS 295 . B 1 96 THR 296 . B 1 97 LEU 297 . B 1 98 ASN 298 . B 1 99 PHE 299 . C 3 100 ACE 1 . C 3 101 VAL 2 . C 3 102 VAL 3 . C 3 103 STA 4 . C 3 104 ALA 5 . C 3 105 STA 6 . ######################## # # # PUBL_MANUSCRIPT_INCL # # # ######################## loop_ _publ_manuscript_incl.entry_id _publ_manuscript_incl.extra_item _publ_manuscript_incl.extra_info _publ_manuscript_incl.extra_defn 5HVP '_struct_conn.pdb2cif_ptnr1_atom_site_id' '_atom_site.id of partner 1 of structure connection' no 5HVP '_struct_conn.pdb2cif_ptnr2_atom_site_id' '_atom_site.id of partner 2 of structure connection' no ############################################### # This file was converted automatically from # # PDB format to mmCIF format by the program # # pdb2cif version 2.4.3 15 Jul 2005 # # by # # Phil Bourne, Herbert J. Bernstein and # # Frances C. Bernstein # # # # This work was supported in part by IUCr # # (for HJB), US NSF, PHS, NIH, NCRR, NIGMS, # # NLM and DOE (for FCB prior to 1998), and # # and NSFgrant no. BIR 9310154 (for PEB) # # # # # # Conversion from PDB format to mmCIF is a # # complex process. This file should be # # reviewed carefully before use. # # # # Even though the authors of pdb2cif have # # made a good faith effort to ensure that # # pdb2cif performs according to its # # documentation, and we would greatly # # appreciate hearing of any problems you # # may encounter, the program pdb2cif and # # any files created by pdb2cif are provided # # **AS IS** without any warrantee as to # # correctness, merchantability or fitness # # for any particular or general use. # # # # THE RESPONSIBILITY FOR ANY ADVERSE # # CONSEQUENCES FROM THE USE OF THE PROGRAM # # PDB2CIF OR ANY FILE OR FILES CREATED BY IT # # LIES SOLELY WITH THE USERS OF THE PROGRAM # # AND FILE OR FILES AND NOT WITH AUTHORS OF # # PDB2CIF # # # # The program pdb2cif is available from # # http://www.bernstein-plus-sons.com # # /software/pdb2cif or # # the IUCr and its mirrors (see # # http://www.iucr.org/iucr-top/cif # # /software/pdb2cif) or # # SDSC (see # # http://www.sdsc.edu/pb/pdb2cif/pdb2cif) or # # NDB and its mirrors (see # # http://ndbserver.rutgers.edu/mmcif # # /software/pdb2cif) # # and the NDB mirror sites # # # # See H. Bernstein, F. Bernstein, # # P. E. Bourne CIF Applications. VIII. # # pdb2cif: Translating PDB Entries into # # mmCIF Format, J. Appl. Cryst., 31, # # 1998, pp 282-295. # # # # Please report problems to: # # pdb2cif@bernstein-plus-sons.com # # # ############################################### # REMARK records parsed = 87;# specified by PDB = 87 # FTNOTE records parsed = 13;# specified by PDB = 13 # HET records parsed = 4;# specified by PDB = 4 # HELIX records parsed = 2;# specified by PDB = 2 # SHEET records parsed = 22;# specified by PDB = 22 # TURN records parsed = 8;# specified by PDB = 8 # SITE records parsed = 0;# specified by PDB = 0 # AT+HET records parsed = 1802;# specified by PDB = 1802 # TER records parsed = 2;# specified by PDB = 2 # CONECT records parsed = 46;# specified by PDB = 46 # SEQRES records parsed = 17;# specified by PDB = 17 # Total of 2039 records processed from PDB file #=# DATABASE_PDB_REMARK: Only text in columns 12-70 retained #=# PUBL_MANUSCRIPT_INCL: Tokens _struct_conn. #=# PUBL_MANUSCRIPT_INCL: pdb2cif_ptnrn_atom_site_id used