HEADER ALLERGEN 23-MAR-04 1SS3 TITLE SOLUTION STRUCTURE OF OLE E 6, AN ALLERGEN FROM OLIVE TREE TITLE 2 POLLEN COMPND MOL_ID: 1; COMPND 2 MOLECULE: POLLEN ALLERGEN OLE E 6; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: OLEA EUROPAEA; SOURCE 3 ORGANISM_COMMON: COMMON OLIVE; SOURCE 4 GENE: OLE6; SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 6 EXPRESSION_SYSTEM_COMMON: FUNGI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: GS115 HIS 4; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPIC9 KEYWDS ALPHA-HELIX PROTEIN EXPDTA NMR, 25 STRUCTURES AUTHOR M.A.TREVINO,M.F.GARCIA-MAYORAL,P.BARRAL,M.VILLALBA, AUTHOR 2 J.SANTORO,M.RICO,R.RODRIGUEZ,M.BRUIX REVDAT 3 28-SEP-04 1SS3 1 JRNL REVDAT 2 07-SEP-04 1SS3 1 JRNL REVDAT 1 03-AUG-04 1SS3 0 JRNL AUTH M.A.TREVINO,M.F.GARCIA-MAYORAL,P.BARRAL,M.VILLALBA, JRNL AUTH 2 J.SANTORO,M.RICO,R.RODRIGUEZ,M.BRUIX JRNL TITL NMR SOLUTION STRUCTURE OF OLE E 6, A MAJOR JRNL TITL 2 ALLERGEN FROM OLIVE TREE POLLEN. JRNL REF J.BIOL.CHEM. V. 279 39035 2004 JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5, AMBER 7 REMARK 3 AUTHORS : (DYANA), (AMBER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 1428 UNAMBIGOUS NOES, WHICH LEADS TO 900 UPPER LIMIT REMARK 3 DISTANCES. 486 RELEVANT DISTANCE RESTRAINTS, AND 24 ANGLE REMARK 3 CONSTRAINTS WERE USED. THE BEST CONFORMERS WERE ENERGY- REMARK 3 MINIMIZED WITH AMBER7 REMARK 4 REMARK 4 1SS3 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB021954. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.6 MM OLE E 6; 95% H2O, 5% REMARK 210 D2O; 0.6 MM OLE E 6; 100% D2O; REMARK 210 1MM OLE E 6 U-15N; 95% H2O, 5% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, DQF-COSY, REMARK 210 3D_15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.1, ANSIG 3.3, DYANA REMARK 210 1.5 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THESE STRUCTURES WERE DETERMINED USING STANDARD 2D-NOE REMARK 210 HOMONUCLEAR TECHNIQUES AND 3D-NOE HETERONUCLEAR TECHNIQUES REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 4 ALA A 3 -93.53 170.85 REMARK 500 5 GLU A 2 -53.29 68.46 REMARK 500 6 GLU A 2 -53.23 73.35 REMARK 500 7 GLU A 2 -56.45 72.99 REMARK 500 8 GLU A 2 -64.79 68.08 REMARK 500 10 GLU A 2 -60.38 69.51 REMARK 500 11 ALA A 3 -95.10 -176.17 REMARK 500 15 GLU A 2 -76.29 66.07 REMARK 500 19 GLU A 2 -80.36 67.44 REMARK 500 19 ASN A 45 147.50 58.91 REMARK 500 20 ALA A 3 -93.79 174.85 REMARK 500 21 ALA A 3 -94.79 -172.01 REMARK 500 23 ALA A 3 -96.69 168.93 REMARK 500 23 ASN A 45 136.39 67.27 REMARK 500 25 ALA A 3 -96.59 165.26 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 6139 RELATED DB: BMRB REMARK 900 CHEMICAL SHIFTS DBREF 1SS3 A 1 50 UNP O24172 ALL6_OLEEU 1 50 SEQRES 1 A 50 ASP GLU ALA GLN PHE LYS GLU CYS TYR ASP THR CYS HIS SEQRES 2 A 50 LYS GLU CYS SER ASP LYS GLY ASN GLY PHE THR PHE CYS SEQRES 3 A 50 GLU MET LYS CYS ASP THR ASP CYS SER VAL LYS ASP VAL SEQRES 4 A 50 LYS GLU LYS LEU GLU ASN TYR LYS PRO LYS ASN HELIX 1 1 GLU A 2 ASP A 18 1 17 HELIX 2 2 GLY A 22 CYS A 34 1 13 SSBOND 1 CYS A 8 CYS A 34 SSBOND 2 CYS A 16 CYS A 26 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N ASP A 1 1.322 0.037 0.017 1.00 10.00 N ATOM 2 CA ASP A 1 2.124 0.046 -1.214 1.00 10.00 C ATOM 3 C ASP A 1 2.181 -1.373 -1.724 1.00 10.00 C ATOM 4 O ASP A 1 1.475 -2.202 -1.167 1.00 10.00 O ATOM 5 CB ASP A 1 3.541 0.585 -0.957 1.00 10.00 C ATOM 6 CG ASP A 1 3.903 1.553 -2.073 1.00 10.00 C ATOM 7 OD1 ASP A 1 3.035 2.410 -2.323 1.00 10.00 O ATOM 8 OD2 ASP A 1 4.914 1.307 -2.759 1.00 10.00 O ATOM 9 HA ASP A 1 1.624 0.660 -1.971 1.00 10.00 H ATOM 10 HB2 ASP A 1 3.584 1.081 0.011 1.00 10.00 H ATOM 11 HB3 ASP A 1 4.259 -0.235 -0.940 1.00 10.00 H ATOM 12 H1 ASP A 1 1.059 -0.934 0.165 1.00 10.00 H ATOM 13 H2 ASP A 1 0.483 0.589 -0.092 1.00 10.00 H ATOM 14 H3 ASP A 1 1.891 0.351 0.788 1.00 10.00 H ATOM 15 N GLU A 2 3.031 -1.632 -2.712 1.00 10.00 N ATOM 16 CA GLU A 2 3.292 -2.948 -3.298 1.00 10.00 C ATOM 17 C GLU A 2 4.156 -2.801 -4.546 1.00 10.00 C ATOM 18 O GLU A 2 4.947 -3.677 -4.864 1.00 10.00 O ATOM 19 CB GLU A 2 1.982 -3.665 -3.670 1.00 10.00 C ATOM 20 CG GLU A 2 1.789 -4.908 -2.797 1.00 10.00 C ATOM 21 CD GLU A 2 0.411 -5.518 -3.058 1.00 10.00 C ATOM 22 OE1 GLU A 2 -0.554 -5.098 -2.381 1.00 10.00 O ATOM 23 OE2 GLU A 2 0.338 -6.361 -3.980 1.00 10.00 O ATOM 24 H GLU A 2 3.649 -0.877 -2.988 1.00 10.00 H ATOM 25 HA GLU A 2 3.835 -3.556 -2.576 1.00 10.00 H ATOM 26 HB2 GLU A 2 1.137 -2.992 -3.541 1.00 10.00 H ATOM 27 HB3 GLU A 2 1.996 -3.957 -4.719 1.00 10.00 H ATOM 28 HG2 GLU A 2 2.578 -5.625 -3.035 1.00 10.00 H ATOM 29 HG3 GLU A 2 1.894 -4.652 -1.740 1.00 10.00 H ATOM 30 N ALA A 3 4.057 -1.662 -5.233 1.00 10.00 N ATOM 31 CA ALA A 3 4.830 -1.381 -6.433 1.00 10.00 C ATOM 32 C ALA A 3 6.326 -1.336 -6.149 1.00 10.00 C ATOM 33 O ALA A 3 7.078 -2.018 -6.828 1.00 10.00 O ATOM 34 CB ALA A 3 4.390 -0.057 -7.047 1.00 10.00 C ATOM 35 H ALA A 3 3.405 -0.968 -4.907 1.00 10.00 H ATOM 36 HA ALA A 3 4.641 -2.184 -7.146 1.00 10.00 H ATOM 37 HB1 ALA A 3 5.128 0.714 -6.824 1.00 10.00 H ATOM 38 HB2 ALA A 3 4.344 -0.175 -8.130 1.00 10.00 H ATOM 39 HB3 ALA A 3 3.424 0.257 -6.657 1.00 10.00 H ATOM 40 N GLN A 4 6.752 -0.620 -5.103 1.00 10.00 N ATOM 41 CA GLN A 4 8.152 -0.598 -4.666 1.00 10.00 C ATOM 42 C GLN A 4 8.798 -1.994 -4.578 1.00 10.00 C ATOM 43 O GLN A 4 9.986 -2.149 -4.847 1.00 10.00 O ATOM 44 CB GLN A 4 8.226 0.095 -3.296 1.00 10.00 C ATOM 45 CG GLN A 4 8.377 1.610 -3.440 1.00 10.00 C ATOM 46 CD GLN A 4 8.181 2.363 -2.127 1.00 10.00 C ATOM 47 OE1 GLN A 4 7.495 1.977 -1.195 1.00 10.00 O ATOM 48 NE2 GLN A 4 8.860 3.473 -1.969 1.00 10.00 N ATOM 49 H GLN A 4 6.085 -0.030 -4.618 1.00 10.00 H ATOM 50 HA GLN A 4 8.719 -0.022 -5.399 1.00 10.00 H ATOM 51 HB2 GLN A 4 7.330 -0.140 -2.719 1.00 10.00 H ATOM 52 HB3 GLN A 4 9.091 -0.275 -2.747 1.00 10.00 H ATOM 53 HG2 GLN A 4 9.388 1.806 -3.799 1.00 10.00 H ATOM 54 HG3 GLN A 4 7.676 1.993 -4.180 1.00 10.00 H ATOM 55 HE21 GLN A 4 9.485 3.813 -2.673 1.00 10.00 H ATOM 56 HE22 GLN A 4 8.656 3.943 -1.108 1.00 10.00 H ATOM 57 N PHE A 5 8.002 -3.007 -4.226 1.00 10.00 N ATOM 58 CA PHE A 5 8.386 -4.414 -4.186 1.00 10.00 C ATOM 59 C PHE A 5 8.177 -5.049 -5.566 1.00 10.00 C ATOM 60 O PHE A 5 9.051 -5.780 -6.001 1.00 10.00 O ATOM 61 CB PHE A 5 7.444 -5.088 -3.214 1.00 10.00 C ATOM 62 CG PHE A 5 7.889 -6.471 -2.900 1.00 10.00 C ATOM 63 CD1 PHE A 5 7.615 -7.539 -3.776 1.00 10.00 C ATOM 64 CD2 PHE A 5 8.594 -6.679 -1.714 1.00 10.00 C ATOM 65 CE1 PHE A 5 8.049 -8.829 -3.447 1.00 10.00 C ATOM 66 CE2 PHE A 5 8.995 -7.974 -1.381 1.00 10.00 C ATOM 67 CZ PHE A 5 8.757 -9.046 -2.255 1.00 10.00 C ATOM 68 H PHE A 5 7.016 -2.795 -4.175 1.00 10.00 H ATOM 69 HA PHE A 5 9.431 -4.507 -3.915 1.00 10.00 H ATOM 70 HB2 PHE A 5 7.372 -4.491 -2.306 1.00 10.00 H ATOM 71 HB3 PHE A 5 6.452 -5.152 -3.648 1.00 10.00 H ATOM 72 HD1 PHE A 5 7.077 -7.393 -4.699 1.00 10.00 H ATOM 73 HD2 PHE A 5 8.821 -5.856 -1.055 1.00 10.00 H ATOM 74 HE1 PHE A 5 7.811 -9.670 -4.080 1.00 10.00 H ATOM 75 HE2 PHE A 5 9.510 -8.150 -0.453 1.00 10.00 H ATOM 76 HZ PHE A 5 9.108 -10.036 -1.997 1.00 10.00 H ATOM 77 N LYS A 6 7.055 -4.820 -6.268 1.00 10.00 N ATOM 78 CA LYS A 6 6.797 -5.338 -7.623 1.00 10.00 C ATOM 79 C LYS A 6 7.905 -4.952 -8.591 1.00 10.00 C ATOM 80 O LYS A 6 8.224 -5.740 -9.464 1.00 10.00 O ATOM 81 CB LYS A 6 5.426 -4.876 -8.138 1.00 10.00 C ATOM 82 CG LYS A 6 5.063 -5.557 -9.468 1.00 10.00 C ATOM 83 CD LYS A 6 3.567 -5.421 -9.767 1.00 10.00 C ATOM 84 CE LYS A 6 3.327 -5.408 -11.279 1.00 10.00 C ATOM 85 NZ LYS A 6 1.897 -5.157 -11.575 1.00 10.00 N ATOM 86 H LYS A 6 6.387 -4.169 -5.869 1.00 10.00 H ATOM 87 HA LYS A 6 6.796 -6.426 -7.582 1.00 10.00 H ATOM 88 HB2 LYS A 6 4.664 -5.107 -7.392 1.00 10.00 H ATOM 89 HB3 LYS A 6 5.445 -3.800 -8.307 1.00 10.00 H ATOM 90 HG2 LYS A 6 5.641 -5.091 -10.269 1.00 10.00 H ATOM 91 HG3 LYS A 6 5.315 -6.617 -9.427 1.00 10.00 H ATOM 92 HD2 LYS A 6 3.036 -6.257 -9.305 1.00 10.00 H ATOM 93 HD3 LYS A 6 3.196 -4.486 -9.343 1.00 10.00 H ATOM 94 HE2 LYS A 6 3.948 -4.615 -11.714 1.00 10.00 H ATOM 95 HE3 LYS A 6 3.657 -6.359 -11.715 1.00 10.00 H ATOM 96 HZ1 LYS A 6 1.375 -6.022 -11.517 1.00 10.00 H ATOM 97 HZ2 LYS A 6 1.514 -4.507 -10.900 1.00 10.00 H ATOM 98 HZ3 LYS A 6 1.797 -4.763 -12.503 1.00 10.00 H ATOM 99 N GLU A 7 8.562 -3.829 -8.347 1.00 10.00 N ATOM 100 CA GLU A 7 9.709 -3.409 -9.110 1.00 10.00 C ATOM 101 C GLU A 7 10.938 -4.195 -8.711 1.00 10.00 C ATOM 102 O GLU A 7 11.683 -4.617 -9.572 1.00 10.00 O ATOM 103 CB GLU A 7 9.967 -1.904 -8.952 1.00 10.00 C ATOM 104 CG GLU A 7 9.891 -1.196 -10.306 1.00 10.00 C ATOM 105 CD GLU A 7 8.453 -0.738 -10.578 1.00 10.00 C ATOM 106 OE1 GLU A 7 8.102 0.359 -10.090 1.00 10.00 O ATOM 107 OE2 GLU A 7 7.692 -1.502 -11.213 1.00 10.00 O ATOM 108 H GLU A 7 8.269 -3.275 -7.558 1.00 10.00 H ATOM 109 HA GLU A 7 9.500 -3.653 -10.144 1.00 10.00 H ATOM 110 HB2 GLU A 7 9.252 -1.461 -8.260 1.00 10.00 H ATOM 111 HB3 GLU A 7 10.958 -1.746 -8.529 1.00 10.00 H ATOM 112 HG2 GLU A 7 10.561 -0.334 -10.288 1.00 10.00 H ATOM 113 HG3 GLU A 7 10.249 -1.859 -11.099 1.00 10.00 H ATOM 114 N CYS A 8 11.141 -4.472 -7.429 1.00 10.00 N ATOM 115 CA CYS A 8 12.250 -5.271 -6.960 1.00 10.00 C ATOM 116 C CYS A 8 12.077 -6.698 -7.414 1.00 10.00 C ATOM 117 O CYS A 8 13.013 -7.264 -7.898 1.00 10.00 O ATOM 118 CB CYS A 8 12.331 -5.225 -5.441 1.00 10.00 C ATOM 119 SG CYS A 8 14.009 -5.268 -4.768 1.00 10.00 S ATOM 120 H CYS A 8 10.383 -4.305 -6.794 1.00 10.00 H ATOM 121 HA CYS A 8 13.178 -4.902 -7.400 1.00 10.00 H ATOM 122 HB2 CYS A 8 11.834 -4.327 -5.090 1.00 10.00 H ATOM 123 HB3 CYS A 8 11.779 -6.076 -5.046 1.00 10.00 H ATOM 124 N TYR A 9 10.904 -7.294 -7.337 1.00 10.00 N ATOM 125 CA TYR A 9 10.623 -8.642 -7.800 1.00 10.00 C ATOM 126 C TYR A 9 10.845 -8.796 -9.297 1.00 10.00 C ATOM 127 O TYR A 9 11.581 -9.683 -9.722 1.00 10.00 O ATOM 128 CB TYR A 9 9.165 -8.935 -7.466 1.00 10.00 C ATOM 129 CG TYR A 9 8.825 -10.397 -7.502 1.00 10.00 C ATOM 130 CD1 TYR A 9 8.487 -11.028 -8.714 1.00 10.00 C ATOM 131 CD2 TYR A 9 8.819 -11.113 -6.300 1.00 10.00 C ATOM 132 CE1 TYR A 9 8.126 -12.386 -8.714 1.00 10.00 C ATOM 133 CE2 TYR A 9 8.427 -12.446 -6.302 1.00 10.00 C ATOM 134 CZ TYR A 9 8.102 -13.090 -7.487 1.00 10.00 C ATOM 135 OH TYR A 9 7.821 -14.399 -7.381 1.00 10.00 O ATOM 136 H TYR A 9 10.169 -6.764 -6.901 1.00 10.00 H ATOM 137 HA TYR A 9 11.295 -9.339 -7.294 1.00 10.00 H ATOM 138 HB2 TYR A 9 8.947 -8.551 -6.471 1.00 10.00 H ATOM 139 HB3 TYR A 9 8.513 -8.403 -8.162 1.00 10.00 H ATOM 140 HD1 TYR A 9 8.496 -10.475 -9.641 1.00 10.00 H ATOM 141 HD2 TYR A 9 9.116 -10.662 -5.369 1.00 10.00 H ATOM 142 HE1 TYR A 9 7.841 -12.868 -9.635 1.00 10.00 H ATOM 143 HE2 TYR A 9 8.368 -13.007 -5.398 1.00 10.00 H ATOM 144 HH TYR A 9 7.406 -14.664 -6.555 1.00 10.00 H ATOM 145 N ASP A 10 10.230 -7.921 -10.096 1.00 10.00 N ATOM 146 CA ASP A 10 10.354 -7.922 -11.556 1.00 10.00 C ATOM 147 C ASP A 10 11.810 -7.696 -11.969 1.00 10.00 C ATOM 148 O ASP A 10 12.441 -8.499 -12.663 1.00 10.00 O ATOM 149 CB ASP A 10 9.471 -6.815 -12.156 1.00 10.00 C ATOM 150 CG ASP A 10 9.017 -7.157 -13.568 1.00 10.00 C ATOM 151 OD1 ASP A 10 8.180 -8.081 -13.670 1.00 10.00 O ATOM 152 OD2 ASP A 10 9.514 -6.523 -14.519 1.00 10.00 O ATOM 153 H ASP A 10 9.649 -7.206 -9.667 1.00 10.00 H ATOM 154 HA ASP A 10 10.027 -8.897 -11.922 1.00 10.00 H ATOM 155 HB2 ASP A 10 8.573 -6.704 -11.566 1.00 10.00 H ATOM 156 HB3 ASP A 10 9.999 -5.858 -12.141 1.00 10.00 H ATOM 157 N THR A 11 12.391 -6.620 -11.443 1.00 10.00 N ATOM 158 CA THR A 11 13.770 -6.218 -11.715 1.00 10.00 C ATOM 159 C THR A 11 14.752 -7.255 -11.189 1.00 10.00 C ATOM 160 O THR A 11 15.662 -7.660 -11.904 1.00 10.00 O ATOM 161 CB THR A 11 14.082 -4.854 -11.099 1.00 10.00 C ATOM 162 OG1 THR A 11 13.182 -3.909 -11.611 1.00 10.00 O ATOM 163 CG2 THR A 11 15.449 -4.307 -11.450 1.00 10.00 C ATOM 164 H THR A 11 11.822 -6.045 -10.829 1.00 10.00 H ATOM 165 HA THR A 11 13.884 -6.139 -12.794 1.00 10.00 H ATOM 166 HB THR A 11 14.004 -4.918 -10.011 1.00 10.00 H ATOM 167 HG1 THR A 11 12.378 -4.037 -11.080 1.00 10.00 H ATOM 168 HG21 THR A 11 15.471 -4.071 -12.514 1.00 10.00 H ATOM 169 HG22 THR A 11 15.599 -3.399 -10.867 1.00 10.00 H ATOM 170 HG23 THR A 11 16.224 -5.029 -11.198 1.00 10.00 H ATOM 171 N CYS A 12 14.549 -7.764 -9.978 1.00 10.00 N ATOM 172 CA CYS A 12 15.334 -8.850 -9.409 1.00 10.00 C ATOM 173 C CYS A 12 15.272 -10.027 -10.356 1.00 10.00 C ATOM 174 O CYS A 12 16.320 -10.514 -10.733 1.00 10.00 O ATOM 175 CB CYS A 12 14.880 -9.253 -8.003 1.00 10.00 C ATOM 176 SG CYS A 12 15.893 -10.510 -7.209 1.00 10.00 S ATOM 177 H CYS A 12 13.752 -7.449 -9.436 1.00 10.00 H ATOM 178 HA CYS A 12 16.370 -8.526 -9.336 1.00 10.00 H ATOM 179 HB2 CYS A 12 14.948 -8.382 -7.355 1.00 10.00 H ATOM 180 HB3 CYS A 12 13.839 -9.589 -8.035 1.00 10.00 H ATOM 181 N HIS A 13 14.093 -10.408 -10.869 1.00 10.00 N ATOM 182 CA HIS A 13 13.938 -11.484 -11.844 1.00 10.00 C ATOM 183 C HIS A 13 14.806 -11.281 -13.070 1.00 10.00 C ATOM 184 O HIS A 13 15.329 -12.258 -13.602 1.00 10.00 O ATOM 185 CB HIS A 13 12.481 -11.631 -12.269 1.00 10.00 C ATOM 186 CG HIS A 13 12.147 -13.045 -12.633 1.00 10.00 C ATOM 187 ND1 HIS A 13 12.385 -13.621 -13.858 1.00 10.00 N ATOM 188 CD2 HIS A 13 11.568 -13.973 -11.812 1.00 10.00 C ATOM 189 CE1 HIS A 13 11.957 -14.890 -13.788 1.00 10.00 C ATOM 190 NE2 HIS A 13 11.445 -15.128 -12.560 1.00 10.00 N ATOM 191 H HIS A 13 13.262 -9.905 -10.574 1.00 10.00 H ATOM 192 HA HIS A 13 14.238 -12.410 -11.374 1.00 10.00 H ATOM 193 HB2 HIS A 13 11.813 -11.315 -11.477 1.00 10.00 H ATOM 194 HB3 HIS A 13 12.301 -10.991 -13.128 1.00 10.00 H ATOM 195 HD1 HIS A 13 12.775 -13.143 -14.659 1.00 10.00 H ATOM 196 HD2 HIS A 13 11.255 -13.832 -10.780 1.00 10.00 H ATOM 197 HE1 HIS A 13 11.990 -15.581 -14.617 1.00 10.00 H ATOM 198 HE2 HIS A 13 11.014 -15.996 -12.231 1.00 10.00 H ATOM 199 N LYS A 14 14.928 -10.044 -13.552 1.00 10.00 N ATOM 200 CA LYS A 14 15.835 -9.688 -14.643 1.00 10.00 C ATOM 201 C LYS A 14 17.281 -10.073 -14.330 1.00 10.00 C ATOM 202 O LYS A 14 17.842 -10.885 -15.056 1.00 10.00 O ATOM 203 CB LYS A 14 15.694 -8.204 -14.981 1.00 10.00 C ATOM 204 CG LYS A 14 16.477 -7.836 -16.244 1.00 10.00 C ATOM 205 CD LYS A 14 17.753 -7.048 -15.904 1.00 10.00 C ATOM 206 CE LYS A 14 18.100 -6.091 -17.042 1.00 10.00 C ATOM 207 NZ LYS A 14 19.504 -6.267 -17.475 1.00 10.00 N ATOM 208 H LYS A 14 14.392 -9.324 -13.075 1.00 10.00 H ATOM 209 HA LYS A 14 15.546 -10.271 -15.516 1.00 10.00 H ATOM 210 HB2 LYS A 14 14.640 -7.955 -15.115 1.00 10.00 H ATOM 211 HB3 LYS A 14 16.068 -7.604 -14.163 1.00 10.00 H ATOM 212 HG2 LYS A 14 16.758 -8.736 -16.795 1.00 10.00 H ATOM 213 HG3 LYS A 14 15.822 -7.240 -16.877 1.00 10.00 H ATOM 214 HD2 LYS A 14 17.618 -6.439 -15.008 1.00 10.00 H ATOM 215 HD3 LYS A 14 18.567 -7.751 -15.704 1.00 10.00 H ATOM 216 HE2 LYS A 14 17.413 -6.252 -17.880 1.00 10.00 H ATOM 217 HE3 LYS A 14 17.933 -5.072 -16.676 1.00 10.00 H ATOM 218 HZ1 LYS A 14 19.875 -5.395 -17.829 1.00 10.00 H ATOM 219 HZ2 LYS A 14 20.076 -6.569 -16.693 1.00 10.00 H ATOM 220 HZ3 LYS A 14 19.562 -6.981 -18.191 1.00 10.00 H ATOM 221 N GLU A 15 17.864 -9.515 -13.271 1.00 10.00 N ATOM 222 CA GLU A 15 19.201 -9.911 -12.786 1.00 10.00 C ATOM 223 C GLU A 15 19.217 -11.355 -12.233 1.00 10.00 C ATOM 224 O GLU A 15 20.252 -11.961 -11.993 1.00 10.00 O ATOM 225 CB GLU A 15 19.678 -8.894 -11.736 1.00 10.00 C ATOM 226 CG GLU A 15 21.076 -9.241 -11.209 1.00 10.00 C ATOM 227 CD GLU A 15 21.627 -8.149 -10.299 1.00 10.00 C ATOM 228 OE1 GLU A 15 21.244 -8.155 -9.108 1.00 10.00 O ATOM 229 OE2 GLU A 15 22.400 -7.305 -10.807 1.00 10.00 O ATOM 230 H GLU A 15 17.304 -8.912 -12.677 1.00 10.00 H ATOM 231 HA GLU A 15 19.906 -9.880 -13.620 1.00 10.00 H ATOM 232 HB2 GLU A 15 19.710 -7.904 -12.196 1.00 10.00 H ATOM 233 HB3 GLU A 15 18.970 -8.864 -10.908 1.00 10.00 H ATOM 234 HG2 GLU A 15 21.027 -10.159 -10.626 1.00 10.00 H ATOM 235 HG3 GLU A 15 21.742 -9.403 -12.061 1.00 10.00 H ATOM 236 N CYS A 16 18.056 -11.976 -12.064 1.00 10.00 N ATOM 237 CA CYS A 16 17.939 -13.303 -11.525 1.00 10.00 C ATOM 238 C CYS A 16 18.158 -14.294 -12.639 1.00 10.00 C ATOM 239 O CYS A 16 19.092 -15.061 -12.549 1.00 10.00 O ATOM 240 CB CYS A 16 16.594 -13.547 -10.871 1.00 10.00 C ATOM 241 SG CYS A 16 16.495 -15.109 -9.998 1.00 10.00 S ATOM 242 H CYS A 16 17.233 -11.413 -12.154 1.00 10.00 H ATOM 243 HA CYS A 16 18.708 -13.407 -10.766 1.00 10.00 H ATOM 244 HB2 CYS A 16 16.395 -12.738 -10.187 1.00 10.00 H ATOM 245 HB3 CYS A 16 15.838 -13.567 -11.642 1.00 10.00 H ATOM 246 N SER A 17 17.303 -14.299 -13.663 1.00 10.00 N ATOM 247 CA SER A 17 17.448 -15.135 -14.851 1.00 10.00 C ATOM 248 C SER A 17 18.836 -14.993 -15.476 1.00 10.00 C ATOM 249 O SER A 17 19.286 -15.928 -16.120 1.00 10.00 O ATOM 250 CB SER A 17 16.402 -14.763 -15.904 1.00 10.00 C ATOM 251 OG SER A 17 15.666 -15.887 -16.356 1.00 10.00 O ATOM 252 H SER A 17 16.546 -13.638 -13.614 1.00 10.00 H ATOM 253 HA SER A 17 17.293 -16.174 -14.569 1.00 10.00 H ATOM 254 HB2 SER A 17 15.688 -14.052 -15.494 1.00 10.00 H ATOM 255 HB3 SER A 17 16.913 -14.285 -16.739 1.00 10.00 H ATOM 256 HG SER A 17 15.323 -15.690 -17.229 1.00 10.00 H ATOM 257 N ASP A 18 19.513 -13.850 -15.290 1.00 10.00 N ATOM 258 CA ASP A 18 20.923 -13.642 -15.658 1.00 10.00 C ATOM 259 C ASP A 18 21.838 -14.741 -15.112 1.00 10.00 C ATOM 260 O ASP A 18 22.721 -15.218 -15.820 1.00 10.00 O ATOM 261 CB ASP A 18 21.416 -12.285 -15.145 1.00 10.00 C ATOM 262 CG ASP A 18 22.946 -12.199 -15.047 1.00 10.00 C ATOM 263 OD1 ASP A 18 23.571 -12.007 -16.114 1.00 10.00 O ATOM 264 OD2 ASP A 18 23.462 -12.314 -13.913 1.00 10.00 O ATOM 265 H ASP A 18 19.076 -13.140 -14.722 1.00 10.00 H ATOM 266 HA ASP A 18 21.007 -13.652 -16.742 1.00 10.00 H ATOM 267 HB2 ASP A 18 21.028 -11.486 -15.773 1.00 10.00 H ATOM 268 HB3 ASP A 18 21.007 -12.143 -14.162 1.00 10.00 H ATOM 269 N LYS A 19 21.577 -15.238 -13.896 1.00 10.00 N ATOM 270 CA LYS A 19 22.288 -16.357 -13.313 1.00 10.00 C ATOM 271 C LYS A 19 22.190 -17.623 -14.155 1.00 10.00 C ATOM 272 O LYS A 19 22.882 -18.593 -13.856 1.00 10.00 O ATOM 273 CB LYS A 19 21.813 -16.573 -11.866 1.00 10.00 C ATOM 274 CG LYS A 19 22.856 -16.101 -10.851 1.00 10.00 C ATOM 275 CD LYS A 19 23.448 -17.276 -10.069 1.00 10.00 C ATOM 276 CE LYS A 19 22.909 -17.274 -8.639 1.00 10.00 C ATOM 277 NZ LYS A 19 23.353 -18.495 -7.923 1.00 10.00 N ATOM 278 H LYS A 19 20.802 -14.873 -13.370 1.00 10.00 H ATOM 279 HA LYS A 19 23.330 -16.068 -13.342 1.00 10.00 H ATOM 280 HB2 LYS A 19 20.913 -16.028 -11.640 1.00 10.00 H ATOM 281 HB3 LYS A 19 21.520 -17.607 -11.738 1.00 10.00 H ATOM 282 HG2 LYS A 19 23.663 -15.575 -11.355 1.00 10.00 H ATOM 283 HG3 LYS A 19 22.391 -15.377 -10.179 1.00 10.00 H ATOM 284 HD2 LYS A 19 23.197 -18.220 -10.557 1.00 10.00 H ATOM 285 HD3 LYS A 19 24.532 -17.179 -10.057 1.00 10.00 H ATOM 286 HE2 LYS A 19 23.266 -16.367 -8.135 1.00 10.00 H ATOM 287 HE3 LYS A 19 21.817 -17.225 -8.696 1.00 10.00 H ATOM 288 HZ1 LYS A 19 23.552 -19.224 -8.599 1.00 10.00 H ATOM 289 HZ2 LYS A 19 24.201 -18.312 -7.396 1.00 10.00 H ATOM 290 HZ3 LYS A 19 22.636 -18.836 -7.300 1.00 10.00 H ATOM 291 N GLY A 20 21.290 -17.644 -15.132 1.00 10.00 N ATOM 292 CA GLY A 20 21.014 -18.736 -16.047 1.00 10.00 C ATOM 293 C GLY A 20 20.089 -19.774 -15.425 1.00 10.00 C ATOM 294 O GLY A 20 19.924 -20.870 -15.954 1.00 10.00 O ATOM 295 H GLY A 20 20.748 -16.799 -15.261 1.00 10.00 H ATOM 296 HA2 GLY A 20 20.543 -18.332 -16.941 1.00 10.00 H ATOM 297 HA3 GLY A 20 21.953 -19.206 -16.326 1.00 10.00 H ATOM 298 N ASN A 21 19.549 -19.474 -14.243 1.00 10.00 N ATOM 299 CA ASN A 21 18.570 -20.292 -13.560 1.00 10.00 C ATOM 300 C ASN A 21 17.210 -20.274 -14.279 1.00 10.00 C ATOM 301 O ASN A 21 16.981 -19.577 -15.264 1.00 10.00 O ATOM 302 CB ASN A 21 18.453 -19.834 -12.092 1.00 10.00 C ATOM 303 CG ASN A 21 18.293 -18.346 -11.926 1.00 10.00 C ATOM 304 OD1 ASN A 21 18.065 -17.612 -12.853 1.00 10.00 O ATOM 305 ND2 ASN A 21 18.403 -17.855 -10.715 1.00 10.00 N ATOM 306 H ASN A 21 19.604 -18.505 -13.957 1.00 10.00 H ATOM 307 HA ASN A 21 18.926 -21.320 -13.577 1.00 10.00 H ATOM 308 HB2 ASN A 21 17.592 -20.312 -11.652 1.00 10.00 H ATOM 309 HB3 ASN A 21 19.325 -20.142 -11.530 1.00 10.00 H ATOM 310 HD21 ASN A 21 18.486 -18.450 -9.927 1.00 10.00 H ATOM 311 HD22 ASN A 21 18.206 -16.862 -10.719 1.00 10.00 H ATOM 312 N GLY A 22 16.273 -21.045 -13.730 1.00 10.00 N ATOM 313 CA GLY A 22 14.910 -21.079 -14.231 1.00 10.00 C ATOM 314 C GLY A 22 14.078 -19.934 -13.684 1.00 10.00 C ATOM 315 O GLY A 22 14.307 -19.461 -12.574 1.00 10.00 O ATOM 316 H GLY A 22 16.506 -21.498 -12.863 1.00 10.00 H ATOM 317 HA2 GLY A 22 14.928 -21.011 -15.318 1.00 10.00 H ATOM 318 HA3 GLY A 22 14.442 -22.015 -13.934 1.00 10.00 H ATOM 319 N PHE A 23 13.014 -19.595 -14.413 1.00 10.00 N ATOM 320 CA PHE A 23 12.088 -18.531 -14.048 1.00 10.00 C ATOM 321 C PHE A 23 11.441 -18.793 -12.698 1.00 10.00 C ATOM 322 O PHE A 23 11.491 -17.933 -11.833 1.00 10.00 O ATOM 323 CB PHE A 23 10.995 -18.430 -15.117 1.00 10.00 C ATOM 324 CG PHE A 23 10.105 -17.207 -15.008 1.00 10.00 C ATOM 325 CD1 PHE A 23 9.295 -16.973 -13.873 1.00 10.00 C ATOM 326 CD2 PHE A 23 10.101 -16.272 -16.059 1.00 10.00 C ATOM 327 CE1 PHE A 23 8.522 -15.807 -13.781 1.00 10.00 C ATOM 328 CE2 PHE A 23 9.323 -15.105 -15.965 1.00 10.00 C ATOM 329 CZ PHE A 23 8.539 -14.871 -14.823 1.00 10.00 C ATOM 330 H PHE A 23 12.883 -20.072 -15.291 1.00 10.00 H ATOM 331 HA PHE A 23 12.646 -17.594 -13.983 1.00 10.00 H ATOM 332 HB2 PHE A 23 11.476 -18.437 -16.094 1.00 10.00 H ATOM 333 HB3 PHE A 23 10.359 -19.314 -15.062 1.00 10.00 H ATOM 334 HD1 PHE A 23 9.224 -17.657 -13.043 1.00 10.00 H ATOM 335 HD2 PHE A 23 10.702 -16.436 -16.941 1.00 10.00 H ATOM 336 HE1 PHE A 23 7.886 -15.629 -12.920 1.00 10.00 H ATOM 337 HE2 PHE A 23 9.302 -14.390 -16.775 1.00 10.00 H ATOM 338 HZ PHE A 23 7.922 -13.986 -14.745 1.00 10.00 H ATOM 339 N THR A 24 10.781 -19.941 -12.553 1.00 10.00 N ATOM 340 CA THR A 24 10.085 -20.361 -11.331 1.00 10.00 C ATOM 341 C THR A 24 10.991 -20.246 -10.114 1.00 10.00 C ATOM 342 O THR A 24 10.697 -19.525 -9.173 1.00 10.00 O ATOM 343 CB THR A 24 9.572 -21.801 -11.490 1.00 10.00 C ATOM 344 OG1 THR A 24 8.229 -21.775 -11.887 1.00 10.00 O ATOM 345 CG2 THR A 24 9.624 -22.644 -10.214 1.00 10.00 C ATOM 346 H THR A 24 10.714 -20.517 -13.377 1.00 10.00 H ATOM 347 HA THR A 24 9.234 -19.698 -11.159 1.00 10.00 H ATOM 348 HB THR A 24 10.151 -22.308 -12.262 1.00 10.00 H ATOM 349 HG1 THR A 24 8.132 -21.415 -12.769 1.00 10.00 H ATOM 350 HG21 THR A 24 9.073 -23.570 -10.354 1.00 10.00 H ATOM 351 HG22 THR A 24 10.648 -22.915 -9.965 1.00 10.00 H ATOM 352 HG23 THR A 24 9.183 -22.081 -9.389 1.00 10.00 H ATOM 353 N PHE A 25 12.129 -20.932 -10.135 1.00 10.00 N ATOM 354 CA PHE A 25 13.103 -20.864 -9.061 1.00 10.00 C ATOM 355 C PHE A 25 13.535 -19.424 -8.817 1.00 10.00 C ATOM 356 O PHE A 25 13.721 -19.027 -7.674 1.00 10.00 O ATOM 357 CB PHE A 25 14.307 -21.704 -9.474 1.00 10.00 C ATOM 358 CG PHE A 25 15.524 -21.478 -8.606 1.00 10.00 C ATOM 359 CD1 PHE A 25 15.636 -22.136 -7.371 1.00 10.00 C ATOM 360 CD2 PHE A 25 16.520 -20.569 -9.009 1.00 10.00 C ATOM 361 CE1 PHE A 25 16.762 -21.918 -6.560 1.00 10.00 C ATOM 362 CE2 PHE A 25 17.654 -20.360 -8.206 1.00 10.00 C ATOM 363 CZ PHE A 25 17.775 -21.039 -6.981 1.00 10.00 C ATOM 364 H PHE A 25 12.280 -21.591 -10.877 1.00 10.00 H ATOM 365 HA PHE A 25 12.664 -21.249 -8.136 1.00 10.00 H ATOM 366 HB2 PHE A 25 14.027 -22.758 -9.451 1.00 10.00 H ATOM 367 HB3 PHE A 25 14.570 -21.444 -10.500 1.00 10.00 H ATOM 368 HD1 PHE A 25 14.857 -22.807 -7.039 1.00 10.00 H ATOM 369 HD2 PHE A 25 16.401 -20.019 -9.930 1.00 10.00 H ATOM 370 HE1 PHE A 25 16.844 -22.439 -5.616 1.00 10.00 H ATOM 371 HE2 PHE A 25 18.431 -19.688 -8.525 1.00 10.00 H ATOM 372 HZ PHE A 25 18.639 -20.894 -6.355 1.00 10.00 H ATOM 373 N CYS A 26 13.684 -18.645 -9.889 1.00 10.00 N ATOM 374 CA CYS A 26 13.981 -17.249 -9.793 1.00 10.00 C ATOM 375 C CYS A 26 12.891 -16.498 -9.075 1.00 10.00 C ATOM 376 O CYS A 26 13.217 -15.576 -8.374 1.00 10.00 O ATOM 377 CB CYS A 26 14.160 -16.614 -11.163 1.00 10.00 C ATOM 378 SG CYS A 26 15.855 -16.267 -11.504 1.00 10.00 S ATOM 379 H CYS A 26 13.455 -18.974 -10.808 1.00 10.00 H ATOM 380 HA CYS A 26 14.894 -17.166 -9.216 1.00 10.00 H ATOM 381 HB2 CYS A 26 13.771 -17.247 -11.947 1.00 10.00 H ATOM 382 HB3 CYS A 26 13.612 -15.684 -11.194 1.00 10.00 H ATOM 383 N GLU A 27 11.626 -16.834 -9.267 1.00 10.00 N ATOM 384 CA GLU A 27 10.481 -16.266 -8.580 1.00 10.00 C ATOM 385 C GLU A 27 10.541 -16.547 -7.100 1.00 10.00 C ATOM 386 O GLU A 27 10.814 -15.619 -6.360 1.00 10.00 O ATOM 387 CB GLU A 27 9.170 -16.813 -9.157 1.00 10.00 C ATOM 388 CG GLU A 27 8.400 -15.732 -9.894 1.00 10.00 C ATOM 389 CD GLU A 27 6.873 -15.836 -9.725 1.00 10.00 C ATOM 390 OE1 GLU A 27 6.376 -16.459 -8.760 1.00 10.00 O ATOM 391 OE2 GLU A 27 6.212 -15.315 -10.647 1.00 10.00 O ATOM 392 H GLU A 27 11.429 -17.664 -9.800 1.00 10.00 H ATOM 393 HA GLU A 27 10.529 -15.184 -8.669 1.00 10.00 H ATOM 394 HB2 GLU A 27 9.344 -17.613 -9.870 1.00 10.00 H ATOM 395 HB3 GLU A 27 8.574 -17.222 -8.346 1.00 10.00 H ATOM 396 HG2 GLU A 27 8.764 -14.755 -9.599 1.00 10.00 H ATOM 397 HG3 GLU A 27 8.666 -15.802 -10.942 1.00 10.00 H ATOM 398 N MET A 28 10.444 -17.815 -6.686 1.00 10.00 N ATOM 399 CA MET A 28 10.488 -18.214 -5.277 1.00 10.00 C ATOM 400 C MET A 28 11.700 -17.640 -4.541 1.00 10.00 C ATOM 401 O MET A 28 11.693 -17.516 -3.316 1.00 10.00 O ATOM 402 CB MET A 28 10.555 -19.749 -5.184 1.00 10.00 C ATOM 403 CG MET A 28 9.414 -20.329 -4.350 1.00 10.00 C ATOM 404 SD MET A 28 9.931 -21.615 -3.179 1.00 10.00 S ATOM 405 CE MET A 28 9.823 -20.661 -1.643 1.00 10.00 C ATOM 406 H MET A 28 10.258 -18.514 -7.394 1.00 10.00 H ATOM 407 HA MET A 28 9.589 -17.831 -4.784 1.00 10.00 H ATOM 408 HB2 MET A 28 10.530 -20.203 -6.176 1.00 10.00 H ATOM 409 HB3 MET A 28 11.504 -20.038 -4.728 1.00 10.00 H ATOM 410 HG2 MET A 28 8.922 -19.531 -3.792 1.00 10.00 H ATOM 411 HG3 MET A 28 8.675 -20.753 -5.030 1.00 10.00 H ATOM 412 HE1 MET A 28 10.756 -20.124 -1.463 1.00 10.00 H ATOM 413 HE2 MET A 28 9.004 -19.944 -1.712 1.00 10.00 H ATOM 414 HE3 MET A 28 9.623 -21.349 -0.823 1.00 10.00 H ATOM 415 N LYS A 29 12.761 -17.341 -5.298 1.00 10.00 N ATOM 416 CA LYS A 29 13.957 -16.698 -4.817 1.00 10.00 C ATOM 417 C LYS A 29 13.830 -15.197 -4.796 1.00 10.00 C ATOM 418 O LYS A 29 13.919 -14.683 -3.710 1.00 10.00 O ATOM 419 CB LYS A 29 15.154 -17.140 -5.631 1.00 10.00 C ATOM 420 CG LYS A 29 16.424 -17.033 -4.787 1.00 10.00 C ATOM 421 CD LYS A 29 17.307 -15.875 -5.248 1.00 10.00 C ATOM 422 CE LYS A 29 18.772 -16.191 -4.958 1.00 10.00 C ATOM 423 NZ LYS A 29 19.604 -15.759 -6.106 1.00 10.00 N ATOM 424 H LYS A 29 12.631 -17.462 -6.293 1.00 10.00 H ATOM 425 HA LYS A 29 14.082 -17.004 -3.779 1.00 10.00 H ATOM 426 HB2 LYS A 29 15.040 -18.179 -5.903 1.00 10.00 H ATOM 427 HB3 LYS A 29 15.209 -16.563 -6.553 1.00 10.00 H ATOM 428 HG2 LYS A 29 16.193 -16.899 -3.729 1.00 10.00 H ATOM 429 HG3 LYS A 29 16.954 -17.979 -4.889 1.00 10.00 H ATOM 430 HD2 LYS A 29 17.175 -15.718 -6.319 1.00 10.00 H ATOM 431 HD3 LYS A 29 17.021 -14.957 -4.727 1.00 10.00 H ATOM 432 HE2 LYS A 29 19.065 -15.668 -4.041 1.00 10.00 H ATOM 433 HE3 LYS A 29 18.881 -17.268 -4.781 1.00 10.00 H ATOM 434 HZ1 LYS A 29 20.461 -15.332 -5.777 1.00 10.00 H ATOM 435 HZ2 LYS A 29 19.780 -16.546 -6.710 1.00 10.00 H ATOM 436 HZ3 LYS A 29 19.101 -15.047 -6.633 1.00 10.00 H ATOM 437 N CYS A 30 13.666 -14.519 -5.927 1.00 10.00 N ATOM 438 CA CYS A 30 13.389 -13.091 -6.053 1.00 10.00 C ATOM 439 C CYS A 30 12.313 -12.609 -5.073 1.00 10.00 C ATOM 440 O CYS A 30 12.334 -11.451 -4.673 1.00 10.00 O ATOM 441 CB CYS A 30 12.915 -12.775 -7.472 1.00 10.00 C ATOM 442 SG CYS A 30 14.186 -12.772 -8.729 1.00 10.00 S ATOM 443 H CYS A 30 13.578 -15.066 -6.764 1.00 10.00 H ATOM 444 HA CYS A 30 14.313 -12.550 -5.882 1.00 10.00 H ATOM 445 HB2 CYS A 30 12.173 -13.502 -7.774 1.00 10.00 H ATOM 446 HB3 CYS A 30 12.430 -11.804 -7.473 1.00 10.00 H ATOM 447 N ASP A 31 11.394 -13.502 -4.708 1.00 10.00 N ATOM 448 CA ASP A 31 10.372 -13.284 -3.701 1.00 10.00 C ATOM 449 C ASP A 31 10.999 -13.007 -2.348 1.00 10.00 C ATOM 450 O ASP A 31 10.875 -11.925 -1.785 1.00 10.00 O ATOM 451 CB ASP A 31 9.448 -14.518 -3.600 1.00 10.00 C ATOM 452 CG ASP A 31 8.026 -14.168 -3.169 1.00 10.00 C ATOM 453 OD1 ASP A 31 7.777 -13.012 -2.767 1.00 10.00 O ATOM 454 OD2 ASP A 31 7.176 -15.071 -3.323 1.00 10.00 O ATOM 455 H ASP A 31 11.395 -14.411 -5.157 1.00 10.00 H ATOM 456 HA ASP A 31 9.810 -12.400 -3.988 1.00 10.00 H ATOM 457 HB2 ASP A 31 9.379 -15.024 -4.556 1.00 10.00 H ATOM 458 HB3 ASP A 31 9.861 -15.257 -2.915 1.00 10.00 H ATOM 459 N THR A 32 11.720 -14.003 -1.837 1.00 10.00 N ATOM 460 CA THR A 32 12.445 -13.874 -0.586 1.00 10.00 C ATOM 461 C THR A 32 13.679 -12.984 -0.739 1.00 10.00 C ATOM 462 O THR A 32 14.208 -12.556 0.268 1.00 10.00 O ATOM 463 CB THR A 32 12.787 -15.273 -0.055 1.00 10.00 C ATOM 464 OG1 THR A 32 11.706 -15.741 0.730 1.00 10.00 O ATOM 465 CG2 THR A 32 14.017 -15.370 0.848 1.00 10.00 C ATOM 466 H THR A 32 11.846 -14.820 -2.419 1.00 10.00 H ATOM 467 HA THR A 32 11.793 -13.379 0.135 1.00 10.00 H ATOM 468 HB THR A 32 12.934 -15.950 -0.904 1.00 10.00 H ATOM 469 HG1 THR A 32 11.881 -16.658 0.905 1.00 10.00 H ATOM 470 HG21 THR A 32 13.846 -14.779 1.749 1.00 10.00 H ATOM 471 HG22 THR A 32 14.229 -16.404 1.096 1.00 10.00 H ATOM 472 HG23 THR A 32 14.890 -14.973 0.330 1.00 10.00 H ATOM 473 N ASP A 33 14.178 -12.729 -1.947 1.00 10.00 N ATOM 474 CA ASP A 33 15.342 -11.895 -2.226 1.00 10.00 C ATOM 475 C ASP A 33 15.113 -10.496 -1.674 1.00 10.00 C ATOM 476 O ASP A 33 15.740 -10.104 -0.687 1.00 10.00 O ATOM 477 CB ASP A 33 15.608 -11.828 -3.733 1.00 10.00 C ATOM 478 CG ASP A 33 16.722 -10.860 -4.122 1.00 10.00 C ATOM 479 OD1 ASP A 33 16.508 -9.638 -4.023 1.00 10.00 O ATOM 480 OD2 ASP A 33 17.771 -11.366 -4.579 1.00 10.00 O ATOM 481 H ASP A 33 13.709 -13.160 -2.728 1.00 10.00 H ATOM 482 HA ASP A 33 16.199 -12.342 -1.737 1.00 10.00 H ATOM 483 HB2 ASP A 33 15.849 -12.818 -4.117 1.00 10.00 H ATOM 484 HB3 ASP A 33 14.706 -11.476 -4.212 1.00 10.00 H ATOM 485 N CYS A 34 14.186 -9.767 -2.304 1.00 10.00 N ATOM 486 CA CYS A 34 13.867 -8.407 -1.928 1.00 10.00 C ATOM 487 C CYS A 34 12.920 -8.416 -0.734 1.00 10.00 C ATOM 488 O CYS A 34 11.843 -7.839 -0.763 1.00 10.00 O ATOM 489 CB CYS A 34 13.257 -7.635 -3.097 1.00 10.00 C ATOM 490 SG CYS A 34 14.344 -7.243 -4.489 1.00 10.00 S ATOM 491 H CYS A 34 13.766 -10.166 -3.134 1.00 10.00 H ATOM 492 HA CYS A 34 14.794 -7.922 -1.622 1.00 10.00 H ATOM 493 HB2 CYS A 34 12.390 -8.184 -3.460 1.00 10.00 H ATOM 494 HB3 CYS A 34 12.901 -6.694 -2.685 1.00 10.00 H ATOM 495 N SER A 35 13.347 -9.031 0.348 1.00 10.00 N ATOM 496 CA SER A 35 12.603 -9.206 1.570 1.00 10.00 C ATOM 497 C SER A 35 13.466 -9.923 2.613 1.00 10.00 C ATOM 498 O SER A 35 14.298 -10.776 2.346 1.00 10.00 O ATOM 499 CB SER A 35 11.317 -10.002 1.322 1.00 10.00 C ATOM 500 OG SER A 35 10.222 -9.172 1.676 1.00 10.00 O ATOM 501 H SER A 35 14.270 -9.409 0.239 1.00 10.00 H ATOM 502 HA SER A 35 12.314 -8.188 1.854 1.00 10.00 H ATOM 503 HB2 SER A 35 11.246 -10.282 0.272 1.00 10.00 H ATOM 504 HB3 SER A 35 11.293 -10.912 1.920 1.00 10.00 H ATOM 505 HG SER A 35 10.145 -9.134 2.626 1.00 10.00 H ATOM 506 N VAL A 36 13.265 -9.601 3.876 1.00 10.00 N ATOM 507 CA VAL A 36 13.947 -10.255 4.984 1.00 10.00 C ATOM 508 C VAL A 36 13.279 -11.596 5.275 1.00 10.00 C ATOM 509 O VAL A 36 12.301 -11.983 4.636 1.00 10.00 O ATOM 510 CB VAL A 36 14.004 -9.344 6.222 1.00 10.00 C ATOM 511 CG1 VAL A 36 15.227 -9.669 7.103 1.00 10.00 C ATOM 512 CG2 VAL A 36 14.003 -7.859 5.818 1.00 10.00 C ATOM 513 H VAL A 36 12.614 -8.893 4.105 1.00 10.00 H ATOM 514 HA VAL A 36 14.962 -10.440 4.662 1.00 10.00 H ATOM 515 HB VAL A 36 13.102 -9.524 6.799 1.00 10.00 H ATOM 516 HG11 VAL A 36 15.687 -8.757 7.480 1.00 10.00 H ATOM 517 HG12 VAL A 36 14.913 -10.267 7.961 1.00 10.00 H ATOM 518 HG13 VAL A 36 15.985 -10.219 6.545 1.00 10.00 H ATOM 519 HG21 VAL A 36 14.642 -7.706 4.946 1.00 10.00 H ATOM 520 HG22 VAL A 36 12.981 -7.563 5.572 1.00 10.00 H ATOM 521 HG23 VAL A 36 14.353 -7.227 6.630 1.00 10.00 H ATOM 522 N LYS A 37 13.769 -12.299 6.290 1.00 10.00 N ATOM 523 CA LYS A 37 13.234 -13.580 6.739 1.00 10.00 C ATOM 524 C LYS A 37 13.936 -14.017 8.020 1.00 10.00 C ATOM 525 O LYS A 37 14.411 -13.167 8.760 1.00 10.00 O ATOM 526 CB LYS A 37 13.349 -14.609 5.592 1.00 10.00 C ATOM 527 CG LYS A 37 12.016 -15.344 5.422 1.00 10.00 C ATOM 528 CD LYS A 37 12.283 -16.787 4.999 1.00 10.00 C ATOM 529 CE LYS A 37 11.062 -17.358 4.277 1.00 10.00 C ATOM 530 NZ LYS A 37 10.312 -18.300 5.144 1.00 10.00 N ATOM 531 H LYS A 37 14.453 -11.847 6.882 1.00 10.00 H ATOM 532 HA LYS A 37 12.188 -13.410 7.002 1.00 10.00 H ATOM 533 HB2 LYS A 37 13.585 -14.134 4.639 1.00 10.00 H ATOM 534 HB3 LYS A 37 14.173 -15.298 5.771 1.00 10.00 H ATOM 535 HG2 LYS A 37 11.443 -15.352 6.352 1.00 10.00 H ATOM 536 HG3 LYS A 37 11.430 -14.817 4.665 1.00 10.00 H ATOM 537 HD2 LYS A 37 13.132 -16.811 4.315 1.00 10.00 H ATOM 538 HD3 LYS A 37 12.534 -17.371 5.888 1.00 10.00 H ATOM 539 HE2 LYS A 37 10.425 -16.524 3.959 1.00 10.00 H ATOM 540 HE3 LYS A 37 11.403 -17.862 3.367 1.00 10.00 H ATOM 541 HZ1 LYS A 37 10.536 -18.135 6.119 1.00 10.00 H ATOM 542 HZ2 LYS A 37 9.316 -18.177 5.012 1.00 10.00 H ATOM 543 HZ3 LYS A 37 10.559 -19.256 4.922 1.00 10.00 H ATOM 544 N ASP A 38 13.988 -15.323 8.254 1.00 10.00 N ATOM 545 CA ASP A 38 14.635 -15.931 9.403 1.00 10.00 C ATOM 546 C ASP A 38 15.430 -17.145 8.951 1.00 10.00 C ATOM 547 O ASP A 38 14.869 -18.078 8.369 1.00 10.00 O ATOM 548 CB ASP A 38 13.574 -16.376 10.417 1.00 10.00 C ATOM 549 CG ASP A 38 14.020 -16.138 11.860 1.00 10.00 C ATOM 550 OD1 ASP A 38 14.536 -15.036 12.134 1.00 10.00 O ATOM 551 OD2 ASP A 38 13.888 -17.082 12.671 1.00 10.00 O ATOM 552 H ASP A 38 13.650 -15.953 7.551 1.00 10.00 H ATOM 553 HA ASP A 38 15.316 -15.202 9.852 1.00 10.00 H ATOM 554 HB2 ASP A 38 12.633 -15.864 10.222 1.00 10.00 H ATOM 555 HB3 ASP A 38 13.388 -17.444 10.287 1.00 10.00 H ATOM 556 N VAL A 39 16.733 -17.126 9.195 1.00 10.00 N ATOM 557 CA VAL A 39 17.652 -18.204 8.844 1.00 10.00 C ATOM 558 C VAL A 39 18.742 -18.172 9.898 1.00 10.00 C ATOM 559 O VAL A 39 19.735 -17.464 9.753 1.00 10.00 O ATOM 560 CB VAL A 39 18.177 -18.044 7.397 1.00 10.00 C ATOM 561 CG1 VAL A 39 19.466 -18.836 7.127 1.00 10.00 C ATOM 562 CG2 VAL A 39 17.116 -18.488 6.378 1.00 10.00 C ATOM 563 H VAL A 39 17.119 -16.326 9.684 1.00 10.00 H ATOM 564 HA VAL A 39 17.141 -19.164 8.920 1.00 10.00 H ATOM 565 HB VAL A 39 18.384 -16.989 7.218 1.00 10.00 H ATOM 566 HG11 VAL A 39 19.616 -19.609 7.879 1.00 10.00 H ATOM 567 HG12 VAL A 39 19.458 -19.304 6.146 1.00 10.00 H ATOM 568 HG13 VAL A 39 20.307 -18.144 7.177 1.00 10.00 H ATOM 569 HG21 VAL A 39 16.778 -19.496 6.616 1.00 10.00 H ATOM 570 HG22 VAL A 39 16.270 -17.807 6.402 1.00 10.00 H ATOM 571 HG23 VAL A 39 17.523 -18.462 5.370 1.00 10.00 H ATOM 572 N LYS A 40 18.502 -18.880 11.011 1.00 10.00 N ATOM 573 CA LYS A 40 19.505 -19.047 12.062 1.00 10.00 C ATOM 574 C LYS A 40 20.843 -19.453 11.457 1.00 10.00 C ATOM 575 O LYS A 40 20.874 -20.131 10.429 1.00 10.00 O ATOM 576 CB LYS A 40 19.035 -20.059 13.113 1.00 10.00 C ATOM 577 CG LYS A 40 17.856 -19.484 13.912 1.00 10.00 C ATOM 578 CD LYS A 40 17.916 -19.940 15.373 1.00 10.00 C ATOM 579 CE LYS A 40 16.810 -19.249 16.180 1.00 10.00 C ATOM 580 NZ LYS A 40 15.839 -20.233 16.713 1.00 10.00 N ATOM 581 H LYS A 40 17.604 -19.323 11.105 1.00 10.00 H ATOM 582 HA LYS A 40 19.652 -18.077 12.528 1.00 10.00 H ATOM 583 HB2 LYS A 40 18.742 -20.995 12.635 1.00 10.00 H ATOM 584 HB3 LYS A 40 19.870 -20.274 13.783 1.00 10.00 H ATOM 585 HG2 LYS A 40 17.892 -18.394 13.892 1.00 10.00 H ATOM 586 HG3 LYS A 40 16.918 -19.806 13.457 1.00 10.00 H ATOM 587 HD2 LYS A 40 17.818 -21.026 15.411 1.00 10.00 H ATOM 588 HD3 LYS A 40 18.882 -19.658 15.794 1.00 10.00 H ATOM 589 HE2 LYS A 40 17.269 -18.679 16.996 1.00 10.00 H ATOM 590 HE3 LYS A 40 16.299 -18.528 15.531 1.00 10.00 H ATOM 591 HZ1 LYS A 40 15.873 -21.079 16.159 1.00 10.00 H ATOM 592 HZ2 LYS A 40 16.049 -20.454 17.678 1.00 10.00 H ATOM 593 HZ3 LYS A 40 14.900 -19.856 16.650 1.00 10.00 H ATOM 594 N GLU A 41 21.922 -19.036 12.114 1.00 10.00 N ATOM 595 CA GLU A 41 23.266 -19.317 11.627 1.00 10.00 C ATOM 596 C GLU A 41 23.476 -20.821 11.431 1.00 10.00 C ATOM 597 O GLU A 41 22.729 -21.666 11.941 1.00 10.00 O ATOM 598 CB GLU A 41 24.317 -18.746 12.591 1.00 10.00 C ATOM 599 CG GLU A 41 25.615 -18.357 11.858 1.00 10.00 C ATOM 600 CD GLU A 41 26.310 -17.172 12.538 1.00 10.00 C ATOM 601 OE1 GLU A 41 25.628 -16.132 12.682 1.00 10.00 O ATOM 602 OE2 GLU A 41 27.498 -17.303 12.900 1.00 10.00 O ATOM 603 H GLU A 41 21.824 -18.462 12.931 1.00 10.00 H ATOM 604 HA GLU A 41 23.363 -18.820 10.659 1.00 10.00 H ATOM 605 HB2 GLU A 41 23.890 -17.874 13.085 1.00 10.00 H ATOM 606 HB3 GLU A 41 24.543 -19.484 13.361 1.00 10.00 H ATOM 607 HG2 GLU A 41 26.274 -19.227 11.820 1.00 10.00 H ATOM 608 HG3 GLU A 41 25.387 -18.078 10.826 1.00 10.00 H ATOM 609 N LYS A 42 24.555 -21.177 10.749 1.00 10.00 N ATOM 610 CA LYS A 42 24.907 -22.567 10.530 1.00 10.00 C ATOM 611 C LYS A 42 26.082 -22.869 11.440 1.00 10.00 C ATOM 612 O LYS A 42 27.225 -22.690 11.044 1.00 10.00 O ATOM 613 CB LYS A 42 25.158 -22.781 9.034 1.00 10.00 C ATOM 614 CG LYS A 42 25.606 -24.217 8.735 1.00 10.00 C ATOM 615 CD LYS A 42 24.406 -25.160 8.653 1.00 10.00 C ATOM 616 CE LYS A 42 24.896 -26.607 8.749 1.00 10.00 C ATOM 617 NZ LYS A 42 23.979 -27.417 9.585 1.00 10.00 N ATOM 618 H LYS A 42 25.250 -20.469 10.535 1.00 10.00 H ATOM 619 HA LYS A 42 24.082 -23.210 10.830 1.00 10.00 H ATOM 620 HB2 LYS A 42 24.241 -22.558 8.485 1.00 10.00 H ATOM 621 HB3 LYS A 42 25.928 -22.086 8.705 1.00 10.00 H ATOM 622 HG2 LYS A 42 26.152 -24.236 7.793 1.00 10.00 H ATOM 623 HG3 LYS A 42 26.274 -24.567 9.520 1.00 10.00 H ATOM 624 HD2 LYS A 42 23.727 -24.940 9.477 1.00 10.00 H ATOM 625 HD3 LYS A 42 23.880 -25.000 7.710 1.00 10.00 H ATOM 626 HE2 LYS A 42 24.986 -27.020 7.740 1.00 10.00 H ATOM 627 HE3 LYS A 42 25.900 -26.607 9.194 1.00 10.00 H ATOM 628 HZ1 LYS A 42 23.480 -28.089 9.019 1.00 10.00 H ATOM 629 HZ2 LYS A 42 24.513 -27.895 10.301 1.00 10.00 H ATOM 630 HZ3 LYS A 42 23.313 -26.807 10.041 1.00 10.00 H ATOM 631 N LEU A 43 25.769 -23.255 12.682 1.00 10.00 N ATOM 632 CA LEU A 43 26.783 -23.695 13.633 1.00 10.00 C ATOM 633 C LEU A 43 27.706 -24.730 12.984 1.00 10.00 C ATOM 634 O LEU A 43 27.293 -25.510 12.122 1.00 10.00 O ATOM 635 CB LEU A 43 26.125 -24.237 14.916 1.00 10.00 C ATOM 636 CG LEU A 43 25.695 -25.721 14.832 1.00 10.00 C ATOM 637 CD1 LEU A 43 26.722 -26.638 15.509 1.00 10.00 C ATOM 638 CD2 LEU A 43 24.326 -25.918 15.477 1.00 10.00 C ATOM 639 H LEU A 43 24.807 -23.187 12.963 1.00 10.00 H ATOM 640 HA LEU A 43 27.378 -22.818 13.888 1.00 10.00 H ATOM 641 HB2 LEU A 43 26.833 -24.124 15.738 1.00 10.00 H ATOM 642 HB3 LEU A 43 25.269 -23.606 15.150 1.00 10.00 H ATOM 643 HG LEU A 43 25.582 -26.031 13.796 1.00 10.00 H ATOM 644 HD11 LEU A 43 27.728 -26.408 15.165 1.00 10.00 H ATOM 645 HD12 LEU A 43 26.692 -26.503 16.588 1.00 10.00 H ATOM 646 HD13 LEU A 43 26.514 -27.677 15.258 1.00 10.00 H ATOM 647 HD21 LEU A 43 24.115 -26.982 15.580 1.00 10.00 H ATOM 648 HD22 LEU A 43 24.305 -25.446 16.458 1.00 10.00 H ATOM 649 HD23 LEU A 43 23.567 -25.465 14.837 1.00 10.00 H ATOM 650 N GLU A 44 28.917 -24.821 13.497 1.00 10.00 N ATOM 651 CA GLU A 44 29.919 -25.728 12.973 1.00 10.00 C ATOM 652 C GLU A 44 30.957 -26.001 14.042 1.00 10.00 C ATOM 653 O GLU A 44 30.843 -25.507 15.166 1.00 10.00 O ATOM 654 CB GLU A 44 30.548 -25.130 11.698 1.00 10.00 C ATOM 655 CG GLU A 44 30.254 -26.017 10.480 1.00 10.00 C ATOM 656 CD GLU A 44 29.933 -25.187 9.233 1.00 10.00 C ATOM 657 OE1 GLU A 44 30.872 -24.574 8.682 1.00 10.00 O ATOM 658 OE2 GLU A 44 28.752 -25.225 8.812 1.00 10.00 O ATOM 659 H GLU A 44 29.187 -24.301 14.320 1.00 10.00 H ATOM 660 HA GLU A 44 29.440 -26.682 12.755 1.00 10.00 H ATOM 661 HB2 GLU A 44 30.157 -24.125 11.534 1.00 10.00 H ATOM 662 HB3 GLU A 44 31.629 -25.031 11.812 1.00 10.00 H ATOM 663 HG2 GLU A 44 31.119 -26.661 10.303 1.00 10.00 H ATOM 664 HG3 GLU A 44 29.407 -26.677 10.683 1.00 10.00 H ATOM 665 N ASN A 45 31.926 -26.843 13.696 1.00 10.00 N ATOM 666 CA ASN A 45 33.031 -27.236 14.546 1.00 10.00 C ATOM 667 C ASN A 45 33.840 -28.341 13.881 1.00 10.00 C ATOM 668 O ASN A 45 33.377 -29.033 12.978 1.00 10.00 O ATOM 669 CB ASN A 45 32.516 -27.738 15.910 1.00 10.00 C ATOM 670 CG ASN A 45 32.907 -26.842 17.067 1.00 10.00 C ATOM 671 OD1 ASN A 45 33.667 -25.893 16.979 1.00 10.00 O ATOM 672 ND2 ASN A 45 32.444 -27.196 18.238 1.00 10.00 N ATOM 673 H ASN A 45 31.957 -27.169 12.738 1.00 10.00 H ATOM 674 HA ASN A 45 33.678 -26.365 14.665 1.00 10.00 H ATOM 675 HB2 ASN A 45 31.431 -27.837 15.892 1.00 10.00 H ATOM 676 HB3 ASN A 45 32.911 -28.728 16.113 1.00 10.00 H ATOM 677 HD21 ASN A 45 31.809 -27.966 18.322 1.00 10.00 H ATOM 678 HD22 ASN A 45 32.670 -26.561 18.978 1.00 10.00 H ATOM 679 N TYR A 46 35.051 -28.533 14.378 1.00 10.00 N ATOM 680 CA TYR A 46 36.013 -29.460 13.813 1.00 10.00 C ATOM 681 C TYR A 46 36.934 -29.970 14.911 1.00 10.00 C ATOM 682 O TYR A 46 36.896 -29.507 16.052 1.00 10.00 O ATOM 683 CB TYR A 46 36.798 -28.762 12.682 1.00 10.00 C ATOM 684 CG TYR A 46 37.261 -27.343 12.989 1.00 10.00 C ATOM 685 CD1 TYR A 46 36.327 -26.288 13.058 1.00 10.00 C ATOM 686 CD2 TYR A 46 38.626 -27.063 13.189 1.00 10.00 C ATOM 687 CE1 TYR A 46 36.723 -24.993 13.418 1.00 10.00 C ATOM 688 CE2 TYR A 46 39.038 -25.746 13.487 1.00 10.00 C ATOM 689 CZ TYR A 46 38.084 -24.717 13.627 1.00 10.00 C ATOM 690 OH TYR A 46 38.464 -23.461 13.969 1.00 10.00 O ATOM 691 H TYR A 46 35.394 -27.897 15.088 1.00 10.00 H ATOM 692 HA TYR A 46 35.480 -30.323 13.409 1.00 10.00 H ATOM 693 HB2 TYR A 46 37.661 -29.376 12.421 1.00 10.00 H ATOM 694 HB3 TYR A 46 36.161 -28.732 11.798 1.00 10.00 H ATOM 695 HD1 TYR A 46 35.282 -26.454 12.852 1.00 10.00 H ATOM 696 HD2 TYR A 46 39.359 -27.853 13.103 1.00 10.00 H ATOM 697 HE1 TYR A 46 35.992 -24.202 13.521 1.00 10.00 H ATOM 698 HE2 TYR A 46 40.081 -25.499 13.608 1.00 10.00 H ATOM 699 HH TYR A 46 38.909 -23.460 14.817 1.00 10.00 H ATOM 700 N LYS A 47 37.795 -30.922 14.554 1.00 10.00 N ATOM 701 CA LYS A 47 38.787 -31.474 15.465 1.00 10.00 C ATOM 702 C LYS A 47 40.188 -31.294 14.880 1.00 10.00 C ATOM 703 O LYS A 47 40.745 -32.234 14.310 1.00 10.00 O ATOM 704 CB LYS A 47 38.405 -32.911 15.820 1.00 10.00 C ATOM 705 CG LYS A 47 39.034 -33.299 17.166 1.00 10.00 C ATOM 706 CD LYS A 47 39.991 -34.477 16.993 1.00 10.00 C ATOM 707 CE LYS A 47 40.735 -34.750 18.303 1.00 10.00 C ATOM 708 NZ LYS A 47 40.083 -35.836 19.076 1.00 10.00 N ATOM 709 H LYS A 47 37.777 -31.235 13.593 1.00 10.00 H ATOM 710 HA LYS A 47 38.755 -30.903 16.393 1.00 10.00 H ATOM 711 HB2 LYS A 47 37.321 -32.981 15.916 1.00 10.00 H ATOM 712 HB3 LYS A 47 38.710 -33.588 15.020 1.00 10.00 H ATOM 713 HG2 LYS A 47 39.590 -32.460 17.589 1.00 10.00 H ATOM 714 HG3 LYS A 47 38.241 -33.559 17.868 1.00 10.00 H ATOM 715 HD2 LYS A 47 39.430 -35.355 16.668 1.00 10.00 H ATOM 716 HD3 LYS A 47 40.721 -34.225 16.222 1.00 10.00 H ATOM 717 HE2 LYS A 47 41.768 -35.021 18.062 1.00 10.00 H ATOM 718 HE3 LYS A 47 40.771 -33.823 18.888 1.00 10.00 H ATOM 719 HZ1 LYS A 47 40.701 -36.634 19.153 1.00 10.00 H ATOM 720 HZ2 LYS A 47 39.843 -35.517 20.006 1.00 10.00 H ATOM 721 HZ3 LYS A 47 39.237 -36.134 18.607 1.00 10.00 H ATOM 722 N PRO A 48 40.736 -30.070 14.958 1.00 10.00 N ATOM 723 CA PRO A 48 42.074 -29.803 14.470 1.00 10.00 C ATOM 724 C PRO A 48 43.057 -30.572 15.343 1.00 10.00 C ATOM 725 O PRO A 48 42.860 -30.682 16.558 1.00 10.00 O ATOM 726 CB PRO A 48 42.251 -28.285 14.521 1.00 10.00 C ATOM 727 CG PRO A 48 41.189 -27.783 15.503 1.00 10.00 C ATOM 728 CD PRO A 48 40.217 -28.937 15.709 1.00 10.00 C ATOM 729 HA PRO A 48 42.171 -30.151 13.443 1.00 10.00 H ATOM 730 HB2 PRO A 48 43.252 -27.994 14.846 1.00 10.00 H ATOM 731 HB3 PRO A 48 42.052 -27.883 13.526 1.00 10.00 H ATOM 732 HG2 PRO A 48 41.641 -27.489 16.448 1.00 10.00 H ATOM 733 HG3 PRO A 48 40.663 -26.936 15.086 1.00 10.00 H ATOM 734 HD2 PRO A 48 40.152 -29.163 16.775 1.00 10.00 H ATOM 735 HD3 PRO A 48 39.238 -28.666 15.329 1.00 10.00 H ATOM 736 N LYS A 49 44.049 -31.195 14.688 1.00 10.00 N ATOM 737 CA LYS A 49 45.143 -31.879 15.377 1.00 10.00 C ATOM 738 C LYS A 49 45.757 -30.954 16.445 1.00 10.00 C ATOM 739 O LYS A 49 45.502 -29.751 16.436 1.00 10.00 O ATOM 740 CB LYS A 49 46.181 -32.371 14.352 1.00 10.00 C ATOM 741 CG LYS A 49 46.806 -33.708 14.788 1.00 10.00 C ATOM 742 CD LYS A 49 48.314 -33.609 15.014 1.00 10.00 C ATOM 743 CE LYS A 49 49.090 -33.689 13.703 1.00 10.00 C ATOM 744 NZ LYS A 49 49.464 -32.336 13.226 1.00 10.00 N ATOM 745 H LYS A 49 44.055 -31.119 13.684 1.00 10.00 H ATOM 746 HA LYS A 49 44.696 -32.724 15.900 1.00 10.00 H ATOM 747 HB2 LYS A 49 45.713 -32.520 13.377 1.00 10.00 H ATOM 748 HB3 LYS A 49 46.946 -31.602 14.226 1.00 10.00 H ATOM 749 HG2 LYS A 49 46.352 -34.052 15.717 1.00 10.00 H ATOM 750 HG3 LYS A 49 46.601 -34.471 14.035 1.00 10.00 H ATOM 751 HD2 LYS A 49 48.553 -32.685 15.548 1.00 10.00 H ATOM 752 HD3 LYS A 49 48.615 -34.457 15.627 1.00 10.00 H ATOM 753 HE2 LYS A 49 49.988 -34.291 13.878 1.00 10.00 H ATOM 754 HE3 LYS A 49 48.475 -34.218 12.966 1.00 10.00 H ATOM 755 HZ1 LYS A 49 49.964 -32.388 12.349 1.00 10.00 H ATOM 756 HZ2 LYS A 49 48.642 -31.758 13.109 1.00 10.00 H ATOM 757 HZ3 LYS A 49 50.045 -31.870 13.918 1.00 10.00 H ATOM 758 N ASN A 50 46.532 -31.549 17.355 1.00 10.00 N ATOM 759 CA ASN A 50 47.258 -30.779 18.373 1.00 10.00 C ATOM 760 C ASN A 50 48.084 -29.611 17.791 1.00 10.00 C ATOM 761 O ASN A 50 48.525 -28.810 18.641 1.00 10.00 O ATOM 762 CB ASN A 50 48.167 -31.719 19.182 1.00 10.00 C ATOM 763 CG ASN A 50 49.222 -32.376 18.309 1.00 10.00 C ATOM 764 OD1 ASN A 50 50.189 -31.835 17.810 1.00 10.00 O ATOM 765 ND2 ASN A 50 49.035 -33.640 18.040 1.00 10.00 N ATOM 766 OXT ASN A 50 48.310 -29.612 16.553 1.00 10.00 O ATOM 767 H ASN A 50 46.729 -32.527 17.253 1.00 10.00 H ATOM 768 HA ASN A 50 46.522 -30.328 19.040 1.00 10.00 H ATOM 769 HB2 ASN A 50 48.669 -31.128 19.947 1.00 10.00 H ATOM 770 HB3 ASN A 50 47.569 -32.477 19.682 1.00 10.00 H ATOM 771 HD21 ASN A 50 48.293 -34.145 18.473 1.00 10.00 H ATOM 772 HD22 ASN A 50 49.780 -34.013 17.488 1.00 10.00 H TER 773 ASN A 50