HEADER SWEET PROTEIN 30-APR-98 2BRZ TITLE SOLUTION NMR STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BRAZZEIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA; SOURCE 3 ORGANISM_TAXID: 43545; SOURCE 4 ORGAN: FRUIT; SOURCE 5 TISSUE: PULP SURROUNDING SEEDS; SOURCE 6 OTHER_DETAILS: EXTRACTED FROM FRUIT GROWN IN THE WILD KEYWDS SWEET PROTEIN, CYSTEINE-STABILIZED ALPHA-BETA EXPDTA SOLUTION NMR AUTHOR J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING,G.HELLEKANT, AUTHOR 2 J.L.MARKLEY REVDAT 2 24-FEB-09 2BRZ 1 VERSN REVDAT 1 01-JUL-98 2BRZ 0 JRNL AUTH J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING, JRNL AUTH 2 G.HELLEKANT,J.L.MARKLEY JRNL TITL SOLUTION STRUCTURE OF THE THERMOSTABLE JRNL TITL 2 SWEET-TASTING PROTEIN BRAZZEIN. JRNL REF NAT.STRUCT.BIOL. V. 5 427 1998 JRNL REFN ISSN 1072-8368 JRNL PMID 9628478 JRNL DOI 10.1038/NSB0698-427 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.E.CALDWELL,F.ABILDGAARD,D.MING,G.HELLEKANT, REMARK 1 AUTH 2 J.L.MARKLEY REMARK 1 TITL COMPLETE 1H AND PARTIAL 13C RESONANCE ASSIGNMENTS REMARK 1 TITL 2 AT 37 AND 22 DEGREES C FOR BRAZZEIN, AN INTENSELY REMARK 1 TITL 3 SWEET PROTEIN REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH D.MING,G.HELLEKANT REMARK 1 TITL BRAZZEIN, A NEW HIGH-POTENCY THERMOSTABLE SWEET REMARK 1 TITL 2 PROTEIN FROM PENTADIPLANDRA BRAZZEANA B REMARK 1 REF FEBS LETT. V. 355 106 1994 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REFINED USING FOUR CYCLES OF REMARK 3 SIMULATED ANNEALING REFINEMENT IN X-PLOR. REMARK 4 REMARK 4 2BRZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, E.COSY, DQ, DQF COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : AM600, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DYNAMICAL SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 4 -3.44 -144.60 REMARK 500 TYR A 8 99.23 -67.10 REMARK 500 GLU A 9 39.58 -62.79 REMARK 500 ASN A 10 104.15 172.19 REMARK 500 TYR A 11 138.85 -179.28 REMARK 500 VAL A 13 98.54 -54.89 REMARK 500 SER A 14 -161.71 -176.51 REMARK 500 LYS A 15 89.25 20.07 REMARK 500 CYS A 16 92.93 -168.73 REMARK 500 GLN A 17 17.32 -149.83 REMARK 500 ALA A 19 71.13 -57.56 REMARK 500 ASN A 20 -72.60 -148.79 REMARK 500 GLN A 21 -75.39 -39.37 REMARK 500 ASN A 23 -76.43 -54.61 REMARK 500 LYS A 27 7.24 -60.38 REMARK 500 LEU A 28 -38.76 -163.88 REMARK 500 LYS A 30 36.42 -140.96 REMARK 500 HIS A 31 36.93 38.09 REMARK 500 ASP A 40 72.98 -166.66 REMARK 500 GLU A 41 36.28 25.30 REMARK 500 LYS A 42 -15.58 -144.44 REMARK 500 ARG A 43 42.10 89.12 REMARK 500 GLU A 53 104.81 60.74 REMARK 500 REMARK 500 REMARK: NULL DBREF 2BRZ A 2 54 UNP P56552 BRAZ_PENBA 2 54 SEQRES 1 A 54 PCA ASP LYS CYS LYS LYS VAL TYR GLU ASN TYR PRO VAL SEQRES 2 A 54 SER LYS CYS GLN LEU ALA ASN GLN CYS ASN TYR ASP CYS SEQRES 3 A 54 LYS LEU ASP LYS HIS ALA ARG SER GLY GLU CYS PHE TYR SEQRES 4 A 54 ASP GLU LYS ARG ASN LEU GLN CYS ILE CYS ASP TYR CYS SEQRES 5 A 54 GLU TYR MODRES 2BRZ PCA A 1 GLU PYROGLUTAMIC ACID HET PCA A 1 14 HETNAM PCA PYROGLUTAMIC ACID FORMUL 1 PCA C5 H7 N O3 HELIX 1 H1 GLN A 21 ASP A 29 1 9 SHEET 1 S1 3 LYS A 5 VAL A 7 0 SHEET 2 S1 3 ASN A 44 ASP A 50 -1 N CYS A 49 O LYS A 6 SHEET 3 S1 3 SER A 34 TYR A 39 -1 N SER A 34 O ASP A 50 SSBOND 1 CYS A 4 CYS A 52 1555 1555 2.03 SSBOND 2 CYS A 16 CYS A 37 1555 1555 2.03 SSBOND 3 CYS A 22 CYS A 47 1555 1555 2.03 SSBOND 4 CYS A 26 CYS A 49 1555 1555 2.03 LINK C PCA A 1 N ASP A 2 1555 1555 1.33 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 HETATM 1 N PCA A 1 -11.415 -13.636 -7.728 1.00 0.00 N HETATM 2 CA PCA A 1 -11.835 -14.902 -8.291 1.00 0.00 C HETATM 3 CB PCA A 1 -10.581 -15.678 -8.673 1.00 0.00 C HETATM 4 CG PCA A 1 -9.447 -14.715 -8.341 1.00 0.00 C HETATM 5 CD PCA A 1 -10.110 -13.474 -7.727 1.00 0.00 C HETATM 6 OE PCA A 1 -9.537 -12.490 -7.303 1.00 0.00 O HETATM 7 C PCA A 1 -12.686 -15.692 -7.299 1.00 0.00 C HETATM 8 O PCA A 1 -12.784 -16.916 -7.387 1.00 0.00 O HETATM 9 H PCA A 1 -12.073 -12.932 -7.364 1.00 0.00 H HETATM 10 HA PCA A 1 -12.416 -14.701 -9.178 1.00 0.00 H HETATM 11 HB2 PCA A 1 -10.580 -15.903 -9.728 1.00 0.00 H HETATM 12 HB3 PCA A 1 -10.499 -16.588 -8.089 1.00 0.00 H HETATM 13 HG2 PCA A 1 -8.915 -14.437 -9.238 1.00 0.00 H HETATM 14 HG3 PCA A 1 -8.770 -15.170 -7.630 1.00 0.00 H ATOM 15 N ASP A 2 -13.296 -14.984 -6.355 1.00 0.00 N ATOM 16 CA ASP A 2 -14.130 -15.627 -5.347 1.00 0.00 C ATOM 17 C ASP A 2 -15.254 -14.702 -4.885 1.00 0.00 C ATOM 18 O ASP A 2 -15.468 -13.630 -5.451 1.00 0.00 O ATOM 19 CB ASP A 2 -13.275 -16.058 -4.154 1.00 0.00 C ATOM 20 CG ASP A 2 -11.838 -16.339 -4.549 1.00 0.00 C ATOM 21 OD1 ASP A 2 -11.076 -15.369 -4.746 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.474 -17.529 -4.665 1.00 0.00 O ATOM 23 H ASP A 2 -13.178 -14.012 -6.332 1.00 0.00 H ATOM 24 HA ASP A 2 -14.570 -16.505 -5.796 1.00 0.00 H ATOM 25 HB2 ASP A 2 -13.275 -15.275 -3.410 1.00 0.00 H ATOM 26 HB3 ASP A 2 -13.693 -16.957 -3.725 1.00 0.00 H ATOM 27 N LYS A 3 -15.972 -15.133 -3.853 1.00 0.00 N ATOM 28 CA LYS A 3 -17.081 -14.361 -3.304 1.00 0.00 C ATOM 29 C LYS A 3 -16.624 -12.975 -2.850 1.00 0.00 C ATOM 30 O LYS A 3 -15.663 -12.843 -2.092 1.00 0.00 O ATOM 31 CB LYS A 3 -17.718 -15.126 -2.132 1.00 0.00 C ATOM 32 CG LYS A 3 -19.236 -15.209 -2.198 1.00 0.00 C ATOM 33 CD LYS A 3 -19.771 -16.293 -1.275 1.00 0.00 C ATOM 34 CE LYS A 3 -21.274 -16.467 -1.422 1.00 0.00 C ATOM 35 NZ LYS A 3 -21.630 -17.215 -2.660 1.00 0.00 N ATOM 36 H LYS A 3 -15.751 -15.999 -3.451 1.00 0.00 H ATOM 37 HA LYS A 3 -17.816 -14.243 -4.085 1.00 0.00 H ATOM 38 HB2 LYS A 3 -17.329 -16.134 -2.125 1.00 0.00 H ATOM 39 HB3 LYS A 3 -17.447 -14.645 -1.202 1.00 0.00 H ATOM 40 HG2 LYS A 3 -19.653 -14.259 -1.902 1.00 0.00 H ATOM 41 HG3 LYS A 3 -19.533 -15.435 -3.212 1.00 0.00 H ATOM 42 HD2 LYS A 3 -19.285 -17.228 -1.515 1.00 0.00 H ATOM 43 HD3 LYS A 3 -19.547 -16.022 -0.252 1.00 0.00 H ATOM 44 HE2 LYS A 3 -21.646 -17.011 -0.567 1.00 0.00 H ATOM 45 HE3 LYS A 3 -21.736 -15.492 -1.456 1.00 0.00 H ATOM 46 HZ1 LYS A 3 -20.771 -17.449 -3.196 1.00 0.00 H ATOM 47 HZ2 LYS A 3 -22.123 -18.097 -2.415 1.00 0.00 H ATOM 48 HZ3 LYS A 3 -22.252 -16.637 -3.260 1.00 0.00 H ATOM 49 N CYS A 4 -17.328 -11.945 -3.315 1.00 0.00 N ATOM 50 CA CYS A 4 -17.008 -10.566 -2.952 1.00 0.00 C ATOM 51 C CYS A 4 -18.279 -9.724 -2.823 1.00 0.00 C ATOM 52 O CYS A 4 -18.218 -8.549 -2.462 1.00 0.00 O ATOM 53 CB CYS A 4 -16.050 -9.945 -3.979 1.00 0.00 C ATOM 54 SG CYS A 4 -14.475 -9.377 -3.257 1.00 0.00 S ATOM 55 H CYS A 4 -18.085 -12.117 -3.911 1.00 0.00 H ATOM 56 HA CYS A 4 -16.516 -10.589 -1.990 1.00 0.00 H ATOM 57 HB2 CYS A 4 -15.816 -10.682 -4.732 1.00 0.00 H ATOM 58 HB3 CYS A 4 -16.521 -9.094 -4.451 1.00 0.00 H ATOM 59 N LYS A 5 -19.425 -10.331 -3.120 1.00 0.00 N ATOM 60 CA LYS A 5 -20.709 -9.641 -3.033 1.00 0.00 C ATOM 61 C LYS A 5 -21.455 -10.034 -1.764 1.00 0.00 C ATOM 62 O LYS A 5 -21.501 -11.210 -1.403 1.00 0.00 O ATOM 63 CB LYS A 5 -21.563 -9.961 -4.253 1.00 0.00 C ATOM 64 CG LYS A 5 -22.180 -11.344 -4.221 1.00 0.00 C ATOM 65 CD LYS A 5 -22.964 -11.601 -5.486 1.00 0.00 C ATOM 66 CE LYS A 5 -23.907 -12.782 -5.331 1.00 0.00 C ATOM 67 NZ LYS A 5 -24.807 -12.618 -4.157 1.00 0.00 N ATOM 68 H LYS A 5 -19.408 -11.267 -3.400 1.00 0.00 H ATOM 69 HA LYS A 5 -20.525 -8.584 -3.015 1.00 0.00 H ATOM 70 HB2 LYS A 5 -22.361 -9.238 -4.317 1.00 0.00 H ATOM 71 HB3 LYS A 5 -20.948 -9.886 -5.137 1.00 0.00 H ATOM 72 HG2 LYS A 5 -21.395 -12.081 -4.133 1.00 0.00 H ATOM 73 HG3 LYS A 5 -22.846 -11.415 -3.374 1.00 0.00 H ATOM 74 HD2 LYS A 5 -23.537 -10.717 -5.716 1.00 0.00 H ATOM 75 HD3 LYS A 5 -22.270 -11.803 -6.288 1.00 0.00 H ATOM 76 HE2 LYS A 5 -24.508 -12.867 -6.224 1.00 0.00 H ATOM 77 HE3 LYS A 5 -23.322 -13.680 -5.203 1.00 0.00 H ATOM 78 HZ1 LYS A 5 -24.635 -11.699 -3.700 1.00 0.00 H ATOM 79 HZ2 LYS A 5 -25.801 -12.662 -4.459 1.00 0.00 H ATOM 80 HZ3 LYS A 5 -24.633 -13.374 -3.464 1.00 0.00 H ATOM 81 N LYS A 6 -22.037 -9.049 -1.085 1.00 0.00 N ATOM 82 CA LYS A 6 -22.777 -9.321 0.142 1.00 0.00 C ATOM 83 C LYS A 6 -23.898 -8.306 0.358 1.00 0.00 C ATOM 84 O LYS A 6 -23.676 -7.094 0.311 1.00 0.00 O ATOM 85 CB LYS A 6 -21.825 -9.335 1.336 1.00 0.00 C ATOM 86 CG LYS A 6 -21.715 -8.003 2.058 1.00 0.00 C ATOM 87 CD LYS A 6 -20.534 -7.994 3.022 1.00 0.00 C ATOM 88 CE LYS A 6 -20.862 -7.258 4.310 1.00 0.00 C ATOM 89 NZ LYS A 6 -21.524 -8.151 5.302 1.00 0.00 N ATOM 90 H LYS A 6 -21.965 -8.126 -1.411 1.00 0.00 H ATOM 91 HA LYS A 6 -23.218 -10.300 0.045 1.00 0.00 H ATOM 92 HB2 LYS A 6 -22.165 -10.075 2.046 1.00 0.00 H ATOM 93 HB3 LYS A 6 -20.840 -9.611 0.989 1.00 0.00 H ATOM 94 HG2 LYS A 6 -21.583 -7.217 1.327 1.00 0.00 H ATOM 95 HG3 LYS A 6 -22.627 -7.831 2.611 1.00 0.00 H ATOM 96 HD2 LYS A 6 -20.270 -9.013 3.263 1.00 0.00 H ATOM 97 HD3 LYS A 6 -19.695 -7.509 2.543 1.00 0.00 H ATOM 98 HE2 LYS A 6 -19.945 -6.878 4.737 1.00 0.00 H ATOM 99 HE3 LYS A 6 -21.522 -6.434 4.082 1.00 0.00 H ATOM 100 HZ1 LYS A 6 -22.000 -8.936 4.813 1.00 0.00 H ATOM 101 HZ2 LYS A 6 -20.818 -8.544 5.957 1.00 0.00 H ATOM 102 HZ3 LYS A 6 -22.231 -7.619 5.849 1.00 0.00 H ATOM 103 N VAL A 7 -25.105 -8.816 0.593 1.00 0.00 N ATOM 104 CA VAL A 7 -26.266 -7.967 0.822 1.00 0.00 C ATOM 105 C VAL A 7 -26.117 -7.169 2.114 1.00 0.00 C ATOM 106 O VAL A 7 -25.714 -7.711 3.143 1.00 0.00 O ATOM 107 CB VAL A 7 -27.576 -8.800 0.859 1.00 0.00 C ATOM 108 CG1 VAL A 7 -27.380 -10.110 0.121 1.00 0.00 C ATOM 109 CG2 VAL A 7 -28.045 -9.068 2.286 1.00 0.00 C ATOM 110 H VAL A 7 -25.215 -9.790 0.617 1.00 0.00 H ATOM 111 HA VAL A 7 -26.332 -7.272 -0.003 1.00 0.00 H ATOM 112 HB VAL A 7 -28.350 -8.242 0.348 1.00 0.00 H ATOM 113 HG11 VAL A 7 -26.713 -9.954 -0.715 1.00 0.00 H ATOM 114 HG12 VAL A 7 -26.950 -10.838 0.794 1.00 0.00 H ATOM 115 HG13 VAL A 7 -28.332 -10.466 -0.237 1.00 0.00 H ATOM 116 HG21 VAL A 7 -27.228 -9.471 2.865 1.00 0.00 H ATOM 117 HG22 VAL A 7 -28.384 -8.145 2.734 1.00 0.00 H ATOM 118 HG23 VAL A 7 -28.859 -9.778 2.270 1.00 0.00 H ATOM 119 N TYR A 8 -26.462 -5.890 2.059 1.00 0.00 N ATOM 120 CA TYR A 8 -26.381 -5.038 3.236 1.00 0.00 C ATOM 121 C TYR A 8 -27.408 -5.496 4.264 1.00 0.00 C ATOM 122 O TYR A 8 -28.593 -5.177 4.156 1.00 0.00 O ATOM 123 CB TYR A 8 -26.619 -3.571 2.855 1.00 0.00 C ATOM 124 CG TYR A 8 -26.449 -2.563 3.986 1.00 0.00 C ATOM 125 CD1 TYR A 8 -26.020 -2.938 5.262 1.00 0.00 C ATOM 126 CD2 TYR A 8 -26.717 -1.215 3.764 1.00 0.00 C ATOM 127 CE1 TYR A 8 -25.870 -2.003 6.269 1.00 0.00 C ATOM 128 CE2 TYR A 8 -26.568 -0.278 4.769 1.00 0.00 C ATOM 129 CZ TYR A 8 -26.145 -0.677 6.017 1.00 0.00 C ATOM 130 OH TYR A 8 -25.994 0.254 7.018 1.00 0.00 O ATOM 131 H TYR A 8 -26.792 -5.517 1.214 1.00 0.00 H ATOM 132 HA TYR A 8 -25.389 -5.146 3.649 1.00 0.00 H ATOM 133 HB2 TYR A 8 -25.925 -3.299 2.074 1.00 0.00 H ATOM 134 HB3 TYR A 8 -27.626 -3.471 2.476 1.00 0.00 H ATOM 135 HD1 TYR A 8 -25.805 -3.973 5.468 1.00 0.00 H ATOM 136 HD2 TYR A 8 -27.050 -0.902 2.786 1.00 0.00 H ATOM 137 HE1 TYR A 8 -25.539 -2.313 7.248 1.00 0.00 H ATOM 138 HE2 TYR A 8 -26.783 0.762 4.572 1.00 0.00 H ATOM 139 HH TYR A 8 -25.426 -0.103 7.705 1.00 0.00 H ATOM 140 N GLU A 9 -26.951 -6.259 5.248 1.00 0.00 N ATOM 141 CA GLU A 9 -27.831 -6.781 6.288 1.00 0.00 C ATOM 142 C GLU A 9 -28.458 -5.653 7.104 1.00 0.00 C ATOM 143 O GLU A 9 -28.596 -5.758 8.321 1.00 0.00 O ATOM 144 CB GLU A 9 -27.049 -7.708 7.214 1.00 0.00 C ATOM 145 CG GLU A 9 -26.013 -8.555 6.495 1.00 0.00 C ATOM 146 CD GLU A 9 -25.498 -9.698 7.347 1.00 0.00 C ATOM 147 OE1 GLU A 9 -26.307 -10.301 8.083 1.00 0.00 O ATOM 148 OE2 GLU A 9 -24.285 -9.989 7.281 1.00 0.00 O ATOM 149 H GLU A 9 -25.999 -6.489 5.271 1.00 0.00 H ATOM 150 HA GLU A 9 -28.614 -7.347 5.804 1.00 0.00 H ATOM 151 HB2 GLU A 9 -26.542 -7.107 7.954 1.00 0.00 H ATOM 152 HB3 GLU A 9 -27.743 -8.367 7.711 1.00 0.00 H ATOM 153 HG2 GLU A 9 -26.461 -8.968 5.602 1.00 0.00 H ATOM 154 HG3 GLU A 9 -25.179 -7.926 6.219 1.00 0.00 H ATOM 155 N ASN A 10 -28.835 -4.581 6.422 1.00 0.00 N ATOM 156 CA ASN A 10 -29.449 -3.427 7.071 1.00 0.00 C ATOM 157 C ASN A 10 -29.597 -2.279 6.074 1.00 0.00 C ATOM 158 O ASN A 10 -28.622 -1.606 5.740 1.00 0.00 O ATOM 159 CB ASN A 10 -28.612 -2.988 8.287 1.00 0.00 C ATOM 160 CG ASN A 10 -29.325 -3.232 9.606 1.00 0.00 C ATOM 161 OD1 ASN A 10 -30.049 -2.368 10.101 1.00 0.00 O ATOM 162 ND2 ASN A 10 -29.127 -4.414 10.179 1.00 0.00 N ATOM 163 H ASN A 10 -28.697 -4.563 5.457 1.00 0.00 H ATOM 164 HA ASN A 10 -30.432 -3.723 7.405 1.00 0.00 H ATOM 165 HB2 ASN A 10 -27.686 -3.543 8.296 1.00 0.00 H ATOM 166 HB3 ASN A 10 -28.389 -1.932 8.214 1.00 0.00 H ATOM 167 HD21 ASN A 10 -28.541 -5.056 9.728 1.00 0.00 H ATOM 168 HD22 ASN A 10 -29.577 -4.595 11.031 1.00 0.00 H ATOM 169 N TYR A 11 -30.825 -2.070 5.608 1.00 0.00 N ATOM 170 CA TYR A 11 -31.119 -1.014 4.643 1.00 0.00 C ATOM 171 C TYR A 11 -32.611 -1.003 4.307 1.00 0.00 C ATOM 172 O TYR A 11 -33.218 -2.062 4.142 1.00 0.00 O ATOM 173 CB TYR A 11 -30.316 -1.227 3.355 1.00 0.00 C ATOM 174 CG TYR A 11 -30.341 -0.041 2.420 1.00 0.00 C ATOM 175 CD1 TYR A 11 -29.489 1.038 2.617 1.00 0.00 C ATOM 176 CD2 TYR A 11 -31.215 0.000 1.341 1.00 0.00 C ATOM 177 CE1 TYR A 11 -29.507 2.125 1.765 1.00 0.00 C ATOM 178 CE2 TYR A 11 -31.237 1.084 0.484 1.00 0.00 C ATOM 179 CZ TYR A 11 -30.382 2.143 0.701 1.00 0.00 C ATOM 180 OH TYR A 11 -30.400 3.222 -0.149 1.00 0.00 O ATOM 181 H TYR A 11 -31.556 -2.645 5.917 1.00 0.00 H ATOM 182 HA TYR A 11 -30.837 -0.073 5.087 1.00 0.00 H ATOM 183 HB2 TYR A 11 -29.287 -1.427 3.602 1.00 0.00 H ATOM 184 HB3 TYR A 11 -30.722 -2.075 2.824 1.00 0.00 H ATOM 185 HD1 TYR A 11 -28.803 1.020 3.452 1.00 0.00 H ATOM 186 HD2 TYR A 11 -31.881 -0.832 1.174 1.00 0.00 H ATOM 187 HE1 TYR A 11 -28.837 2.954 1.935 1.00 0.00 H ATOM 188 HE2 TYR A 11 -31.924 1.098 -0.350 1.00 0.00 H ATOM 189 HH TYR A 11 -29.502 3.440 -0.410 1.00 0.00 H ATOM 190 N PRO A 12 -33.231 0.188 4.196 1.00 0.00 N ATOM 191 CA PRO A 12 -34.657 0.301 3.876 1.00 0.00 C ATOM 192 C PRO A 12 -34.938 0.070 2.395 1.00 0.00 C ATOM 193 O PRO A 12 -34.614 0.911 1.555 1.00 0.00 O ATOM 194 CB PRO A 12 -34.978 1.744 4.262 1.00 0.00 C ATOM 195 CG PRO A 12 -33.705 2.478 4.028 1.00 0.00 C ATOM 196 CD PRO A 12 -32.602 1.514 4.373 1.00 0.00 C ATOM 197 HA PRO A 12 -35.254 -0.377 4.468 1.00 0.00 H ATOM 198 HB2 PRO A 12 -35.777 2.121 3.638 1.00 0.00 H ATOM 199 HB3 PRO A 12 -35.271 1.786 5.300 1.00 0.00 H ATOM 200 HG2 PRO A 12 -33.636 2.771 2.991 1.00 0.00 H ATOM 201 HG3 PRO A 12 -33.657 3.346 4.668 1.00 0.00 H ATOM 202 HD2 PRO A 12 -31.768 1.638 3.697 1.00 0.00 H ATOM 203 HD3 PRO A 12 -32.285 1.656 5.395 1.00 0.00 H ATOM 204 N VAL A 13 -35.542 -1.071 2.074 1.00 0.00 N ATOM 205 CA VAL A 13 -35.861 -1.394 0.689 1.00 0.00 C ATOM 206 C VAL A 13 -36.690 -0.288 0.053 1.00 0.00 C ATOM 207 O VAL A 13 -37.904 -0.216 0.233 1.00 0.00 O ATOM 208 CB VAL A 13 -36.618 -2.725 0.568 1.00 0.00 C ATOM 209 CG1 VAL A 13 -37.797 -2.769 1.530 1.00 0.00 C ATOM 210 CG2 VAL A 13 -37.078 -2.945 -0.865 1.00 0.00 C ATOM 211 H VAL A 13 -35.778 -1.705 2.782 1.00 0.00 H ATOM 212 HA VAL A 13 -34.930 -1.486 0.146 1.00 0.00 H ATOM 213 HB VAL A 13 -35.937 -3.517 0.828 1.00 0.00 H ATOM 214 HG11 VAL A 13 -37.547 -2.230 2.432 1.00 0.00 H ATOM 215 HG12 VAL A 13 -38.658 -2.312 1.065 1.00 0.00 H ATOM 216 HG13 VAL A 13 -38.022 -3.796 1.776 1.00 0.00 H ATOM 217 HG21 VAL A 13 -36.255 -2.761 -1.539 1.00 0.00 H ATOM 218 HG22 VAL A 13 -37.418 -3.964 -0.982 1.00 0.00 H ATOM 219 HG23 VAL A 13 -37.888 -2.267 -1.091 1.00 0.00 H ATOM 220 N SER A 14 -36.011 0.570 -0.689 1.00 0.00 N ATOM 221 CA SER A 14 -36.646 1.687 -1.366 1.00 0.00 C ATOM 222 C SER A 14 -35.617 2.429 -2.200 1.00 0.00 C ATOM 223 O SER A 14 -34.549 1.891 -2.490 1.00 0.00 O ATOM 224 CB SER A 14 -37.276 2.642 -0.349 1.00 0.00 C ATOM 225 OG SER A 14 -36.298 3.499 0.215 1.00 0.00 O ATOM 226 H SER A 14 -35.046 0.450 -0.785 1.00 0.00 H ATOM 227 HA SER A 14 -37.416 1.297 -2.014 1.00 0.00 H ATOM 228 HB2 SER A 14 -38.025 3.246 -0.841 1.00 0.00 H ATOM 229 HB3 SER A 14 -37.737 2.071 0.443 1.00 0.00 H ATOM 230 HG SER A 14 -36.513 3.668 1.135 1.00 0.00 H ATOM 231 N LYS A 15 -35.946 3.665 -2.567 1.00 0.00 N ATOM 232 CA LYS A 15 -35.056 4.516 -3.363 1.00 0.00 C ATOM 233 C LYS A 15 -34.012 3.684 -4.097 1.00 0.00 C ATOM 234 O LYS A 15 -32.930 3.428 -3.570 1.00 0.00 O ATOM 235 CB LYS A 15 -34.364 5.544 -2.466 1.00 0.00 C ATOM 236 CG LYS A 15 -35.324 6.514 -1.797 1.00 0.00 C ATOM 237 CD LYS A 15 -34.619 7.365 -0.753 1.00 0.00 C ATOM 238 CE LYS A 15 -35.588 8.301 -0.048 1.00 0.00 C ATOM 239 NZ LYS A 15 -35.875 9.518 -0.860 1.00 0.00 N ATOM 240 H LYS A 15 -36.810 4.020 -2.283 1.00 0.00 H ATOM 241 HA LYS A 15 -35.661 5.035 -4.092 1.00 0.00 H ATOM 242 HB2 LYS A 15 -33.819 5.023 -1.694 1.00 0.00 H ATOM 243 HB3 LYS A 15 -33.668 6.115 -3.063 1.00 0.00 H ATOM 244 HG2 LYS A 15 -35.748 7.163 -2.548 1.00 0.00 H ATOM 245 HG3 LYS A 15 -36.112 5.952 -1.317 1.00 0.00 H ATOM 246 HD2 LYS A 15 -34.166 6.715 -0.020 1.00 0.00 H ATOM 247 HD3 LYS A 15 -33.854 7.952 -1.238 1.00 0.00 H ATOM 248 HE2 LYS A 15 -36.513 7.774 0.130 1.00 0.00 H ATOM 249 HE3 LYS A 15 -35.158 8.601 0.895 1.00 0.00 H ATOM 250 HZ1 LYS A 15 -35.261 9.542 -1.699 1.00 0.00 H ATOM 251 HZ2 LYS A 15 -36.867 9.515 -1.171 1.00 0.00 H ATOM 252 HZ3 LYS A 15 -35.703 10.374 -0.294 1.00 0.00 H ATOM 253 N CYS A 16 -34.342 3.245 -5.304 1.00 0.00 N ATOM 254 CA CYS A 16 -33.427 2.424 -6.082 1.00 0.00 C ATOM 255 C CYS A 16 -33.909 2.279 -7.525 1.00 0.00 C ATOM 256 O CYS A 16 -34.690 1.383 -7.847 1.00 0.00 O ATOM 257 CB CYS A 16 -33.281 1.049 -5.414 1.00 0.00 C ATOM 258 SG CYS A 16 -31.649 0.761 -4.660 1.00 0.00 S ATOM 259 H CYS A 16 -35.223 3.465 -5.671 1.00 0.00 H ATOM 260 HA CYS A 16 -32.465 2.915 -6.085 1.00 0.00 H ATOM 261 HB2 CYS A 16 -34.019 0.963 -4.632 1.00 0.00 H ATOM 262 HB3 CYS A 16 -33.447 0.270 -6.145 1.00 0.00 H ATOM 263 N GLN A 17 -33.424 3.166 -8.383 1.00 0.00 N ATOM 264 CA GLN A 17 -33.783 3.154 -9.796 1.00 0.00 C ATOM 265 C GLN A 17 -32.632 3.697 -10.637 1.00 0.00 C ATOM 266 O GLN A 17 -32.816 4.070 -11.793 1.00 0.00 O ATOM 267 CB GLN A 17 -35.045 3.988 -10.037 1.00 0.00 C ATOM 268 CG GLN A 17 -36.334 3.242 -9.733 1.00 0.00 C ATOM 269 CD GLN A 17 -36.628 2.145 -10.739 1.00 0.00 C ATOM 270 OE1 GLN A 17 -36.077 1.048 -10.658 1.00 0.00 O ATOM 271 NE2 GLN A 17 -37.500 2.437 -11.697 1.00 0.00 N ATOM 272 H GLN A 17 -32.802 3.846 -8.057 1.00 0.00 H ATOM 273 HA GLN A 17 -33.974 2.131 -10.083 1.00 0.00 H ATOM 274 HB2 GLN A 17 -35.007 4.868 -9.411 1.00 0.00 H ATOM 275 HB3 GLN A 17 -35.068 4.295 -11.073 1.00 0.00 H ATOM 276 HG2 GLN A 17 -36.255 2.797 -8.753 1.00 0.00 H ATOM 277 HG3 GLN A 17 -37.154 3.946 -9.741 1.00 0.00 H ATOM 278 HE21 GLN A 17 -37.900 3.333 -11.701 1.00 0.00 H ATOM 279 HE22 GLN A 17 -37.708 1.747 -12.361 1.00 0.00 H ATOM 280 N LEU A 18 -31.446 3.732 -10.035 1.00 0.00 N ATOM 281 CA LEU A 18 -30.244 4.228 -10.700 1.00 0.00 C ATOM 282 C LEU A 18 -29.000 3.798 -9.924 1.00 0.00 C ATOM 283 O LEU A 18 -28.955 3.910 -8.700 1.00 0.00 O ATOM 284 CB LEU A 18 -30.279 5.764 -10.792 1.00 0.00 C ATOM 285 CG LEU A 18 -30.934 6.354 -12.044 1.00 0.00 C ATOM 286 CD1 LEU A 18 -30.748 7.865 -12.066 1.00 0.00 C ATOM 287 CD2 LEU A 18 -30.360 5.724 -13.308 1.00 0.00 C ATOM 288 H LEU A 18 -31.377 3.418 -9.111 1.00 0.00 H ATOM 289 HA LEU A 18 -30.206 3.806 -11.691 1.00 0.00 H ATOM 290 HB2 LEU A 18 -30.814 6.137 -9.930 1.00 0.00 H ATOM 291 HB3 LEU A 18 -29.263 6.135 -10.744 1.00 0.00 H ATOM 292 HG LEU A 18 -31.994 6.154 -12.015 1.00 0.00 H ATOM 293 HD11 LEU A 18 -29.698 8.100 -11.979 1.00 0.00 H ATOM 294 HD12 LEU A 18 -31.131 8.262 -12.995 1.00 0.00 H ATOM 295 HD13 LEU A 18 -31.284 8.305 -11.238 1.00 0.00 H ATOM 296 HD21 LEU A 18 -29.339 5.422 -13.129 1.00 0.00 H ATOM 297 HD22 LEU A 18 -30.949 4.861 -13.578 1.00 0.00 H ATOM 298 HD23 LEU A 18 -30.386 6.442 -14.117 1.00 0.00 H ATOM 299 N ALA A 19 -27.992 3.316 -10.644 1.00 0.00 N ATOM 300 CA ALA A 19 -26.747 2.882 -10.018 1.00 0.00 C ATOM 301 C ALA A 19 -26.119 4.016 -9.218 1.00 0.00 C ATOM 302 O ALA A 19 -25.096 4.573 -9.616 1.00 0.00 O ATOM 303 CB ALA A 19 -25.769 2.394 -11.072 1.00 0.00 C ATOM 304 H ALA A 19 -28.084 3.256 -11.618 1.00 0.00 H ATOM 305 HA ALA A 19 -26.971 2.060 -9.354 1.00 0.00 H ATOM 306 HB1 ALA A 19 -26.300 1.831 -11.824 1.00 0.00 H ATOM 307 HB2 ALA A 19 -25.286 3.246 -11.530 1.00 0.00 H ATOM 308 HB3 ALA A 19 -25.025 1.765 -10.607 1.00 0.00 H ATOM 309 N ASN A 20 -26.735 4.363 -8.096 1.00 0.00 N ATOM 310 CA ASN A 20 -26.225 5.441 -7.260 1.00 0.00 C ATOM 311 C ASN A 20 -26.536 5.199 -5.787 1.00 0.00 C ATOM 312 O ASN A 20 -25.643 4.879 -5.004 1.00 0.00 O ATOM 313 CB ASN A 20 -26.818 6.774 -7.716 1.00 0.00 C ATOM 314 CG ASN A 20 -26.223 7.957 -6.977 1.00 0.00 C ATOM 315 OD1 ASN A 20 -26.909 8.944 -6.708 1.00 0.00 O ATOM 316 ND2 ASN A 20 -24.941 7.866 -6.645 1.00 0.00 N ATOM 317 H ASN A 20 -27.552 3.891 -7.828 1.00 0.00 H ATOM 318 HA ASN A 20 -25.154 5.477 -7.385 1.00 0.00 H ATOM 319 HB2 ASN A 20 -26.628 6.896 -8.772 1.00 0.00 H ATOM 320 HB3 ASN A 20 -27.883 6.763 -7.545 1.00 0.00 H ATOM 321 HD21 ASN A 20 -24.455 7.050 -6.892 1.00 0.00 H ATOM 322 HD22 ASN A 20 -24.531 8.618 -6.170 1.00 0.00 H ATOM 323 N GLN A 21 -27.797 5.353 -5.409 1.00 0.00 N ATOM 324 CA GLN A 21 -28.194 5.147 -4.023 1.00 0.00 C ATOM 325 C GLN A 21 -27.453 3.953 -3.430 1.00 0.00 C ATOM 326 O GLN A 21 -26.513 4.118 -2.652 1.00 0.00 O ATOM 327 CB GLN A 21 -29.705 4.932 -3.923 1.00 0.00 C ATOM 328 CG GLN A 21 -30.215 4.889 -2.491 1.00 0.00 C ATOM 329 CD GLN A 21 -30.493 6.269 -1.926 1.00 0.00 C ATOM 330 OE1 GLN A 21 -31.609 6.778 -2.022 1.00 0.00 O ATOM 331 NE2 GLN A 21 -29.474 6.880 -1.334 1.00 0.00 N ATOM 332 H GLN A 21 -28.472 5.610 -6.071 1.00 0.00 H ATOM 333 HA GLN A 21 -27.927 6.034 -3.467 1.00 0.00 H ATOM 334 HB2 GLN A 21 -30.208 5.736 -4.439 1.00 0.00 H ATOM 335 HB3 GLN A 21 -29.956 3.995 -4.399 1.00 0.00 H ATOM 336 HG2 GLN A 21 -31.129 4.317 -2.465 1.00 0.00 H ATOM 337 HG3 GLN A 21 -29.472 4.407 -1.875 1.00 0.00 H ATOM 338 HE21 GLN A 21 -28.613 6.414 -1.296 1.00 0.00 H ATOM 339 HE22 GLN A 21 -29.626 7.771 -0.956 1.00 0.00 H ATOM 340 N CYS A 22 -27.872 2.751 -3.808 1.00 0.00 N ATOM 341 CA CYS A 22 -27.234 1.534 -3.317 1.00 0.00 C ATOM 342 C CYS A 22 -25.757 1.506 -3.708 1.00 0.00 C ATOM 343 O CYS A 22 -24.895 1.164 -2.897 1.00 0.00 O ATOM 344 CB CYS A 22 -27.957 0.300 -3.868 1.00 0.00 C ATOM 345 SG CYS A 22 -29.197 -0.397 -2.730 1.00 0.00 S ATOM 346 H CYS A 22 -28.621 2.679 -4.435 1.00 0.00 H ATOM 347 HA CYS A 22 -27.309 1.533 -2.240 1.00 0.00 H ATOM 348 HB2 CYS A 22 -28.463 0.569 -4.782 1.00 0.00 H ATOM 349 HB3 CYS A 22 -27.235 -0.477 -4.079 1.00 0.00 H ATOM 350 N ASN A 23 -25.475 1.864 -4.957 1.00 0.00 N ATOM 351 CA ASN A 23 -24.107 1.879 -5.465 1.00 0.00 C ATOM 352 C ASN A 23 -23.202 2.731 -4.581 1.00 0.00 C ATOM 353 O ASN A 23 -22.416 2.204 -3.793 1.00 0.00 O ATOM 354 CB ASN A 23 -24.084 2.404 -6.902 1.00 0.00 C ATOM 355 CG ASN A 23 -22.840 1.978 -7.655 1.00 0.00 C ATOM 356 OD1 ASN A 23 -22.302 0.893 -7.426 1.00 0.00 O ATOM 357 ND2 ASN A 23 -22.373 2.832 -8.558 1.00 0.00 N ATOM 358 H ASN A 23 -26.207 2.124 -5.554 1.00 0.00 H ATOM 359 HA ASN A 23 -23.742 0.863 -5.459 1.00 0.00 H ATOM 360 HB2 ASN A 23 -24.948 2.027 -7.430 1.00 0.00 H ATOM 361 HB3 ASN A 23 -24.121 3.484 -6.884 1.00 0.00 H ATOM 362 HD21 ASN A 23 -22.850 3.678 -8.687 1.00 0.00 H ATOM 363 HD22 ASN A 23 -21.569 2.582 -9.059 1.00 0.00 H ATOM 364 N TYR A 24 -23.317 4.049 -4.714 1.00 0.00 N ATOM 365 CA TYR A 24 -22.504 4.967 -3.924 1.00 0.00 C ATOM 366 C TYR A 24 -22.510 4.550 -2.455 1.00 0.00 C ATOM 367 O TYR A 24 -21.484 4.616 -1.778 1.00 0.00 O ATOM 368 CB TYR A 24 -23.018 6.409 -4.091 1.00 0.00 C ATOM 369 CG TYR A 24 -23.125 7.190 -2.799 1.00 0.00 C ATOM 370 CD1 TYR A 24 -22.037 7.303 -1.945 1.00 0.00 C ATOM 371 CD2 TYR A 24 -24.314 7.810 -2.434 1.00 0.00 C ATOM 372 CE1 TYR A 24 -22.128 8.012 -0.763 1.00 0.00 C ATOM 373 CE2 TYR A 24 -24.413 8.521 -1.254 1.00 0.00 C ATOM 374 CZ TYR A 24 -23.318 8.620 -0.422 1.00 0.00 C ATOM 375 OH TYR A 24 -23.412 9.328 0.756 1.00 0.00 O ATOM 376 H TYR A 24 -23.960 4.410 -5.358 1.00 0.00 H ATOM 377 HA TYR A 24 -21.490 4.910 -4.291 1.00 0.00 H ATOM 378 HB2 TYR A 24 -22.348 6.951 -4.742 1.00 0.00 H ATOM 379 HB3 TYR A 24 -23.998 6.384 -4.541 1.00 0.00 H ATOM 380 HD1 TYR A 24 -21.105 6.828 -2.216 1.00 0.00 H ATOM 381 HD2 TYR A 24 -25.169 7.729 -3.089 1.00 0.00 H ATOM 382 HE1 TYR A 24 -21.269 8.087 -0.113 1.00 0.00 H ATOM 383 HE2 TYR A 24 -25.347 8.995 -0.987 1.00 0.00 H ATOM 384 HH TYR A 24 -24.017 8.881 1.352 1.00 0.00 H ATOM 385 N ASP A 25 -23.668 4.120 -1.968 1.00 0.00 N ATOM 386 CA ASP A 25 -23.792 3.695 -0.581 1.00 0.00 C ATOM 387 C ASP A 25 -22.758 2.631 -0.248 1.00 0.00 C ATOM 388 O ASP A 25 -21.878 2.856 0.578 1.00 0.00 O ATOM 389 CB ASP A 25 -25.202 3.170 -0.308 1.00 0.00 C ATOM 390 CG ASP A 25 -26.206 4.290 -0.117 1.00 0.00 C ATOM 391 OD1 ASP A 25 -25.778 5.437 0.131 1.00 0.00 O ATOM 392 OD2 ASP A 25 -27.422 4.019 -0.216 1.00 0.00 O ATOM 393 H ASP A 25 -24.453 4.087 -2.553 1.00 0.00 H ATOM 394 HA ASP A 25 -23.606 4.554 0.044 1.00 0.00 H ATOM 395 HB2 ASP A 25 -25.520 2.564 -1.142 1.00 0.00 H ATOM 396 HB3 ASP A 25 -25.186 2.566 0.587 1.00 0.00 H ATOM 397 N CYS A 26 -22.851 1.479 -0.899 1.00 0.00 N ATOM 398 CA CYS A 26 -21.897 0.408 -0.651 1.00 0.00 C ATOM 399 C CYS A 26 -20.479 0.936 -0.825 1.00 0.00 C ATOM 400 O CYS A 26 -19.578 0.606 -0.053 1.00 0.00 O ATOM 401 CB CYS A 26 -22.141 -0.763 -1.609 1.00 0.00 C ATOM 402 SG CYS A 26 -23.718 -1.638 -1.337 1.00 0.00 S ATOM 403 H CYS A 26 -23.565 1.350 -1.559 1.00 0.00 H ATOM 404 HA CYS A 26 -22.027 0.071 0.366 1.00 0.00 H ATOM 405 HB2 CYS A 26 -22.143 -0.396 -2.623 1.00 0.00 H ATOM 406 HB3 CYS A 26 -21.342 -1.482 -1.496 1.00 0.00 H ATOM 407 N LYS A 27 -20.296 1.763 -1.848 1.00 0.00 N ATOM 408 CA LYS A 27 -18.998 2.354 -2.141 1.00 0.00 C ATOM 409 C LYS A 27 -18.481 3.208 -0.984 1.00 0.00 C ATOM 410 O LYS A 27 -17.467 3.892 -1.126 1.00 0.00 O ATOM 411 CB LYS A 27 -19.076 3.201 -3.412 1.00 0.00 C ATOM 412 CG LYS A 27 -17.716 3.496 -4.023 1.00 0.00 C ATOM 413 CD LYS A 27 -17.847 4.122 -5.402 1.00 0.00 C ATOM 414 CE LYS A 27 -16.484 4.451 -5.989 1.00 0.00 C ATOM 415 NZ LYS A 27 -16.594 5.054 -7.346 1.00 0.00 N ATOM 416 H LYS A 27 -21.059 1.986 -2.421 1.00 0.00 H ATOM 417 HA LYS A 27 -18.303 1.545 -2.308 1.00 0.00 H ATOM 418 HB2 LYS A 27 -19.672 2.677 -4.145 1.00 0.00 H ATOM 419 HB3 LYS A 27 -19.553 4.140 -3.176 1.00 0.00 H ATOM 420 HG2 LYS A 27 -17.184 4.182 -3.380 1.00 0.00 H ATOM 421 HG3 LYS A 27 -17.161 2.574 -4.107 1.00 0.00 H ATOM 422 HD2 LYS A 27 -18.351 3.426 -6.056 1.00 0.00 H ATOM 423 HD3 LYS A 27 -18.425 5.031 -5.322 1.00 0.00 H ATOM 424 HE2 LYS A 27 -15.984 5.150 -5.335 1.00 0.00 H ATOM 425 HE3 LYS A 27 -15.905 3.542 -6.053 1.00 0.00 H ATOM 426 HZ1 LYS A 27 -17.574 5.350 -7.527 1.00 0.00 H ATOM 427 HZ2 LYS A 27 -15.973 5.885 -7.420 1.00 0.00 H ATOM 428 HZ3 LYS A 27 -16.315 4.360 -8.069 1.00 0.00 H ATOM 429 N LEU A 28 -19.170 3.187 0.156 1.00 0.00 N ATOM 430 CA LEU A 28 -18.732 3.991 1.296 1.00 0.00 C ATOM 431 C LEU A 28 -19.389 3.550 2.602 1.00 0.00 C ATOM 432 O LEU A 28 -18.746 3.536 3.651 1.00 0.00 O ATOM 433 CB LEU A 28 -19.035 5.471 1.037 1.00 0.00 C ATOM 434 CG LEU A 28 -18.065 6.461 1.687 1.00 0.00 C ATOM 435 CD1 LEU A 28 -17.777 6.070 3.128 1.00 0.00 C ATOM 436 CD2 LEU A 28 -16.775 6.545 0.884 1.00 0.00 C ATOM 437 H LEU A 28 -19.981 2.639 0.228 1.00 0.00 H ATOM 438 HA LEU A 28 -17.664 3.869 1.390 1.00 0.00 H ATOM 439 HB2 LEU A 28 -19.023 5.637 -0.030 1.00 0.00 H ATOM 440 HB3 LEU A 28 -20.029 5.685 1.404 1.00 0.00 H ATOM 441 HG LEU A 28 -18.519 7.440 1.695 1.00 0.00 H ATOM 442 HD11 LEU A 28 -18.702 5.825 3.628 1.00 0.00 H ATOM 443 HD12 LEU A 28 -17.120 5.213 3.147 1.00 0.00 H ATOM 444 HD13 LEU A 28 -17.302 6.896 3.636 1.00 0.00 H ATOM 445 HD21 LEU A 28 -17.009 6.746 -0.151 1.00 0.00 H ATOM 446 HD22 LEU A 28 -16.159 7.341 1.275 1.00 0.00 H ATOM 447 HD23 LEU A 28 -16.242 5.608 0.958 1.00 0.00 H ATOM 448 N ASP A 29 -20.665 3.193 2.541 1.00 0.00 N ATOM 449 CA ASP A 29 -21.381 2.764 3.735 1.00 0.00 C ATOM 450 C ASP A 29 -20.814 1.451 4.260 1.00 0.00 C ATOM 451 O ASP A 29 -21.000 1.105 5.426 1.00 0.00 O ATOM 452 CB ASP A 29 -22.876 2.608 3.443 1.00 0.00 C ATOM 453 CG ASP A 29 -23.617 3.931 3.497 1.00 0.00 C ATOM 454 OD1 ASP A 29 -23.006 4.967 3.160 1.00 0.00 O ATOM 455 OD2 ASP A 29 -24.807 3.929 3.876 1.00 0.00 O ATOM 456 H ASP A 29 -21.134 3.224 1.681 1.00 0.00 H ATOM 457 HA ASP A 29 -21.248 3.526 4.489 1.00 0.00 H ATOM 458 HB2 ASP A 29 -23.004 2.184 2.459 1.00 0.00 H ATOM 459 HB3 ASP A 29 -23.311 1.944 4.175 1.00 0.00 H ATOM 460 N LYS A 30 -20.116 0.723 3.393 1.00 0.00 N ATOM 461 CA LYS A 30 -19.517 -0.554 3.771 1.00 0.00 C ATOM 462 C LYS A 30 -18.139 -0.720 3.134 1.00 0.00 C ATOM 463 O LYS A 30 -17.753 -1.823 2.744 1.00 0.00 O ATOM 464 CB LYS A 30 -20.427 -1.713 3.358 1.00 0.00 C ATOM 465 CG LYS A 30 -21.787 -1.699 4.043 1.00 0.00 C ATOM 466 CD LYS A 30 -21.713 -2.247 5.466 1.00 0.00 C ATOM 467 CE LYS A 30 -22.118 -3.711 5.529 1.00 0.00 C ATOM 468 NZ LYS A 30 -21.914 -4.284 6.887 1.00 0.00 N ATOM 469 H LYS A 30 -19.999 1.051 2.476 1.00 0.00 H ATOM 470 HA LYS A 30 -19.403 -0.562 4.845 1.00 0.00 H ATOM 471 HB2 LYS A 30 -20.585 -1.667 2.290 1.00 0.00 H ATOM 472 HB3 LYS A 30 -19.936 -2.643 3.599 1.00 0.00 H ATOM 473 HG2 LYS A 30 -22.151 -0.683 4.075 1.00 0.00 H ATOM 474 HG3 LYS A 30 -22.471 -2.306 3.466 1.00 0.00 H ATOM 475 HD2 LYS A 30 -20.702 -2.151 5.832 1.00 0.00 H ATOM 476 HD3 LYS A 30 -22.378 -1.674 6.098 1.00 0.00 H ATOM 477 HE2 LYS A 30 -23.163 -3.794 5.266 1.00 0.00 H ATOM 478 HE3 LYS A 30 -21.524 -4.267 4.818 1.00 0.00 H ATOM 479 HZ1 LYS A 30 -22.473 -3.754 7.586 1.00 0.00 H ATOM 480 HZ2 LYS A 30 -22.212 -5.279 6.903 1.00 0.00 H ATOM 481 HZ3 LYS A 30 -20.909 -4.230 7.150 1.00 0.00 H ATOM 482 N HIS A 31 -17.401 0.381 3.034 1.00 0.00 N ATOM 483 CA HIS A 31 -16.064 0.356 2.447 1.00 0.00 C ATOM 484 C HIS A 31 -16.005 -0.596 1.256 1.00 0.00 C ATOM 485 O HIS A 31 -15.001 -1.277 1.045 1.00 0.00 O ATOM 486 CB HIS A 31 -15.033 -0.055 3.501 1.00 0.00 C ATOM 487 CG HIS A 31 -15.441 0.291 4.899 1.00 0.00 C ATOM 488 ND1 HIS A 31 -15.470 -0.630 5.925 1.00 0.00 N ATOM 489 CD2 HIS A 31 -15.843 1.466 5.439 1.00 0.00 C ATOM 490 CE1 HIS A 31 -15.873 -0.037 7.034 1.00 0.00 C ATOM 491 NE2 HIS A 31 -16.104 1.235 6.767 1.00 0.00 N ATOM 492 H HIS A 31 -17.762 1.230 3.366 1.00 0.00 H ATOM 493 HA HIS A 31 -15.835 1.355 2.105 1.00 0.00 H ATOM 494 HB2 HIS A 31 -14.882 -1.124 3.455 1.00 0.00 H ATOM 495 HB3 HIS A 31 -14.097 0.445 3.293 1.00 0.00 H ATOM 496 HD1 HIS A 31 -15.234 -1.579 5.851 1.00 0.00 H ATOM 497 HD2 HIS A 31 -15.938 2.409 4.921 1.00 0.00 H ATOM 498 HE1 HIS A 31 -15.987 -0.510 7.999 1.00 0.00 H ATOM 499 HE2 HIS A 31 -16.314 1.922 7.432 1.00 0.00 H ATOM 500 N ALA A 32 -17.083 -0.639 0.483 1.00 0.00 N ATOM 501 CA ALA A 32 -17.150 -1.510 -0.685 1.00 0.00 C ATOM 502 C ALA A 32 -16.559 -0.830 -1.913 1.00 0.00 C ATOM 503 O ALA A 32 -16.162 0.335 -1.857 1.00 0.00 O ATOM 504 CB ALA A 32 -18.588 -1.924 -0.952 1.00 0.00 C ATOM 505 H ALA A 32 -17.853 -0.074 0.700 1.00 0.00 H ATOM 506 HA ALA A 32 -16.578 -2.402 -0.470 1.00 0.00 H ATOM 507 HB1 ALA A 32 -19.123 -1.998 -0.017 1.00 0.00 H ATOM 508 HB2 ALA A 32 -19.063 -1.187 -1.581 1.00 0.00 H ATOM 509 HB3 ALA A 32 -18.601 -2.883 -1.451 1.00 0.00 H ATOM 510 N ARG A 33 -16.508 -1.562 -3.023 1.00 0.00 N ATOM 511 CA ARG A 33 -15.970 -1.029 -4.270 1.00 0.00 C ATOM 512 C ARG A 33 -17.103 -0.530 -5.163 1.00 0.00 C ATOM 513 O ARG A 33 -16.945 0.433 -5.914 1.00 0.00 O ATOM 514 CB ARG A 33 -15.142 -2.109 -4.989 1.00 0.00 C ATOM 515 CG ARG A 33 -13.666 -1.757 -5.118 1.00 0.00 C ATOM 516 CD ARG A 33 -12.964 -1.753 -3.765 1.00 0.00 C ATOM 517 NE ARG A 33 -11.960 -0.696 -3.676 1.00 0.00 N ATOM 518 CZ ARG A 33 -10.722 -0.812 -4.145 1.00 0.00 C ATOM 519 NH1 ARG A 33 -10.335 -1.936 -4.732 1.00 0.00 N ATOM 520 NH2 ARG A 33 -9.870 0.197 -4.028 1.00 0.00 N ATOM 521 H ARG A 33 -16.844 -2.484 -3.005 1.00 0.00 H ATOM 522 HA ARG A 33 -15.328 -0.194 -4.028 1.00 0.00 H ATOM 523 HB2 ARG A 33 -15.219 -3.031 -4.431 1.00 0.00 H ATOM 524 HB3 ARG A 33 -15.538 -2.268 -5.982 1.00 0.00 H ATOM 525 HG2 ARG A 33 -13.189 -2.484 -5.760 1.00 0.00 H ATOM 526 HG3 ARG A 33 -13.580 -0.776 -5.561 1.00 0.00 H ATOM 527 HD2 ARG A 33 -13.698 -1.601 -2.988 1.00 0.00 H ATOM 528 HD3 ARG A 33 -12.480 -2.708 -3.617 1.00 0.00 H ATOM 529 HE ARG A 33 -12.223 0.144 -3.244 1.00 0.00 H ATOM 530 HH11 ARG A 33 -10.975 -2.700 -4.824 1.00 0.00 H ATOM 531 HH12 ARG A 33 -9.403 -2.021 -5.084 1.00 0.00 H ATOM 532 HH21 ARG A 33 -10.160 1.046 -3.586 1.00 0.00 H ATOM 533 HH22 ARG A 33 -8.938 0.108 -4.379 1.00 0.00 H ATOM 534 N SER A 34 -18.247 -1.196 -5.067 1.00 0.00 N ATOM 535 CA SER A 34 -19.419 -0.836 -5.852 1.00 0.00 C ATOM 536 C SER A 34 -20.618 -1.664 -5.410 1.00 0.00 C ATOM 537 O SER A 34 -20.457 -2.700 -4.773 1.00 0.00 O ATOM 538 CB SER A 34 -19.152 -1.054 -7.342 1.00 0.00 C ATOM 539 OG SER A 34 -18.598 -2.337 -7.579 1.00 0.00 O ATOM 540 H SER A 34 -18.306 -1.952 -4.446 1.00 0.00 H ATOM 541 HA SER A 34 -19.630 0.209 -5.679 1.00 0.00 H ATOM 542 HB2 SER A 34 -20.079 -0.970 -7.888 1.00 0.00 H ATOM 543 HB3 SER A 34 -18.458 -0.305 -7.695 1.00 0.00 H ATOM 544 HG SER A 34 -18.905 -2.946 -6.904 1.00 0.00 H ATOM 545 N GLY A 35 -21.817 -1.206 -5.746 1.00 0.00 N ATOM 546 CA GLY A 35 -23.014 -1.932 -5.364 1.00 0.00 C ATOM 547 C GLY A 35 -24.177 -1.659 -6.294 1.00 0.00 C ATOM 548 O GLY A 35 -24.041 -0.909 -7.261 1.00 0.00 O ATOM 549 H GLY A 35 -21.891 -0.372 -6.255 1.00 0.00 H ATOM 550 HA2 GLY A 35 -22.799 -2.990 -5.375 1.00 0.00 H ATOM 551 HA3 GLY A 35 -23.293 -1.642 -4.361 1.00 0.00 H ATOM 552 N GLU A 36 -25.323 -2.269 -6.009 1.00 0.00 N ATOM 553 CA GLU A 36 -26.506 -2.078 -6.846 1.00 0.00 C ATOM 554 C GLU A 36 -27.728 -2.767 -6.253 1.00 0.00 C ATOM 555 O GLU A 36 -27.613 -3.677 -5.432 1.00 0.00 O ATOM 556 CB GLU A 36 -26.236 -2.595 -8.268 1.00 0.00 C ATOM 557 CG GLU A 36 -26.735 -1.662 -9.361 1.00 0.00 C ATOM 558 CD GLU A 36 -28.211 -1.345 -9.228 1.00 0.00 C ATOM 559 OE1 GLU A 36 -28.568 -0.550 -8.335 1.00 0.00 O ATOM 560 OE2 GLU A 36 -29.009 -1.891 -10.019 1.00 0.00 O ATOM 561 H GLU A 36 -25.372 -2.862 -5.223 1.00 0.00 H ATOM 562 HA GLU A 36 -26.712 -1.019 -6.896 1.00 0.00 H ATOM 563 HB2 GLU A 36 -25.170 -2.717 -8.393 1.00 0.00 H ATOM 564 HB3 GLU A 36 -26.715 -3.555 -8.396 1.00 0.00 H ATOM 565 HG2 GLU A 36 -26.179 -0.738 -9.311 1.00 0.00 H ATOM 566 HG3 GLU A 36 -26.567 -2.131 -10.321 1.00 0.00 H ATOM 567 N CYS A 37 -28.896 -2.313 -6.682 1.00 0.00 N ATOM 568 CA CYS A 37 -30.160 -2.858 -6.215 1.00 0.00 C ATOM 569 C CYS A 37 -30.563 -4.059 -7.067 1.00 0.00 C ATOM 570 O CYS A 37 -31.110 -3.900 -8.157 1.00 0.00 O ATOM 571 CB CYS A 37 -31.231 -1.771 -6.280 1.00 0.00 C ATOM 572 SG CYS A 37 -30.572 -0.077 -6.161 1.00 0.00 S ATOM 573 H CYS A 37 -28.908 -1.583 -7.335 1.00 0.00 H ATOM 574 HA CYS A 37 -30.033 -3.176 -5.191 1.00 0.00 H ATOM 575 HB2 CYS A 37 -31.753 -1.846 -7.220 1.00 0.00 H ATOM 576 HB3 CYS A 37 -31.929 -1.910 -5.469 1.00 0.00 H ATOM 577 N PHE A 38 -30.270 -5.260 -6.573 1.00 0.00 N ATOM 578 CA PHE A 38 -30.584 -6.487 -7.307 1.00 0.00 C ATOM 579 C PHE A 38 -31.910 -7.099 -6.857 1.00 0.00 C ATOM 580 O PHE A 38 -32.204 -7.165 -5.662 1.00 0.00 O ATOM 581 CB PHE A 38 -29.452 -7.503 -7.135 1.00 0.00 C ATOM 582 CG PHE A 38 -28.354 -7.346 -8.147 1.00 0.00 C ATOM 583 CD1 PHE A 38 -27.326 -6.441 -7.938 1.00 0.00 C ATOM 584 CD2 PHE A 38 -28.349 -8.103 -9.308 1.00 0.00 C ATOM 585 CE1 PHE A 38 -26.314 -6.294 -8.868 1.00 0.00 C ATOM 586 CE2 PHE A 38 -27.341 -7.959 -10.241 1.00 0.00 C ATOM 587 CZ PHE A 38 -26.322 -7.053 -10.021 1.00 0.00 C ATOM 588 H PHE A 38 -29.819 -5.321 -5.701 1.00 0.00 H ATOM 589 HA PHE A 38 -30.663 -6.233 -8.354 1.00 0.00 H ATOM 590 HB2 PHE A 38 -29.019 -7.386 -6.153 1.00 0.00 H ATOM 591 HB3 PHE A 38 -29.852 -8.504 -7.230 1.00 0.00 H ATOM 592 HD1 PHE A 38 -27.319 -5.846 -7.038 1.00 0.00 H ATOM 593 HD2 PHE A 38 -29.146 -8.811 -9.481 1.00 0.00 H ATOM 594 HE1 PHE A 38 -25.518 -5.586 -8.693 1.00 0.00 H ATOM 595 HE2 PHE A 38 -27.349 -8.555 -11.142 1.00 0.00 H ATOM 596 HZ PHE A 38 -25.532 -6.939 -10.749 1.00 0.00 H ATOM 597 N TYR A 39 -32.692 -7.561 -7.834 1.00 0.00 N ATOM 598 CA TYR A 39 -33.982 -8.192 -7.569 1.00 0.00 C ATOM 599 C TYR A 39 -33.793 -9.669 -7.237 1.00 0.00 C ATOM 600 O TYR A 39 -32.683 -10.107 -6.938 1.00 0.00 O ATOM 601 CB TYR A 39 -34.901 -8.046 -8.781 1.00 0.00 C ATOM 602 CG TYR A 39 -35.394 -6.635 -9.006 1.00 0.00 C ATOM 603 CD1 TYR A 39 -34.583 -5.685 -9.615 1.00 0.00 C ATOM 604 CD2 TYR A 39 -36.673 -6.254 -8.618 1.00 0.00 C ATOM 605 CE1 TYR A 39 -35.030 -4.396 -9.828 1.00 0.00 C ATOM 606 CE2 TYR A 39 -37.128 -4.968 -8.831 1.00 0.00 C ATOM 607 CZ TYR A 39 -36.304 -4.043 -9.435 1.00 0.00 C ATOM 608 OH TYR A 39 -36.753 -2.760 -9.647 1.00 0.00 O ATOM 609 H TYR A 39 -32.384 -7.487 -8.760 1.00 0.00 H ATOM 610 HA TYR A 39 -34.433 -7.697 -6.728 1.00 0.00 H ATOM 611 HB2 TYR A 39 -34.368 -8.354 -9.667 1.00 0.00 H ATOM 612 HB3 TYR A 39 -35.764 -8.680 -8.648 1.00 0.00 H ATOM 613 HD1 TYR A 39 -33.587 -5.966 -9.922 1.00 0.00 H ATOM 614 HD2 TYR A 39 -37.317 -6.980 -8.141 1.00 0.00 H ATOM 615 HE1 TYR A 39 -34.384 -3.671 -10.301 1.00 0.00 H ATOM 616 HE2 TYR A 39 -38.125 -4.690 -8.522 1.00 0.00 H ATOM 617 HH TYR A 39 -37.680 -2.784 -9.897 1.00 0.00 H ATOM 618 N ASP A 40 -34.878 -10.439 -7.302 1.00 0.00 N ATOM 619 CA ASP A 40 -34.812 -11.868 -7.016 1.00 0.00 C ATOM 620 C ASP A 40 -36.072 -12.573 -7.465 1.00 0.00 C ATOM 621 O ASP A 40 -36.892 -12.991 -6.649 1.00 0.00 O ATOM 622 CB ASP A 40 -34.575 -12.116 -5.529 1.00 0.00 C ATOM 623 CG ASP A 40 -35.517 -11.311 -4.654 1.00 0.00 C ATOM 624 OD1 ASP A 40 -36.002 -10.258 -5.120 1.00 0.00 O ATOM 625 OD2 ASP A 40 -35.768 -11.732 -3.506 1.00 0.00 O ATOM 626 H ASP A 40 -35.736 -10.040 -7.552 1.00 0.00 H ATOM 627 HA ASP A 40 -33.991 -12.276 -7.581 1.00 0.00 H ATOM 628 HB2 ASP A 40 -34.728 -13.164 -5.317 1.00 0.00 H ATOM 629 HB3 ASP A 40 -33.560 -11.845 -5.280 1.00 0.00 H ATOM 630 N GLU A 41 -36.195 -12.711 -8.773 1.00 0.00 N ATOM 631 CA GLU A 41 -37.331 -13.367 -9.389 1.00 0.00 C ATOM 632 C GLU A 41 -38.579 -13.311 -8.503 1.00 0.00 C ATOM 633 O GLU A 41 -39.366 -14.256 -8.464 1.00 0.00 O ATOM 634 CB GLU A 41 -36.978 -14.821 -9.719 1.00 0.00 C ATOM 635 CG GLU A 41 -36.045 -15.468 -8.705 1.00 0.00 C ATOM 636 CD GLU A 41 -34.605 -15.018 -8.862 1.00 0.00 C ATOM 637 OE1 GLU A 41 -34.246 -14.547 -9.962 1.00 0.00 O ATOM 638 OE2 GLU A 41 -33.836 -15.135 -7.885 1.00 0.00 O ATOM 639 H GLU A 41 -35.486 -12.359 -9.350 1.00 0.00 H ATOM 640 HA GLU A 41 -37.531 -12.844 -10.302 1.00 0.00 H ATOM 641 HB2 GLU A 41 -37.886 -15.403 -9.764 1.00 0.00 H ATOM 642 HB3 GLU A 41 -36.497 -14.850 -10.686 1.00 0.00 H ATOM 643 HG2 GLU A 41 -36.380 -15.210 -7.711 1.00 0.00 H ATOM 644 HG3 GLU A 41 -36.088 -16.541 -8.830 1.00 0.00 H ATOM 645 N LYS A 42 -38.757 -12.196 -7.794 1.00 0.00 N ATOM 646 CA LYS A 42 -39.913 -12.028 -6.912 1.00 0.00 C ATOM 647 C LYS A 42 -40.410 -10.581 -6.903 1.00 0.00 C ATOM 648 O LYS A 42 -41.523 -10.308 -6.454 1.00 0.00 O ATOM 649 CB LYS A 42 -39.562 -12.470 -5.487 1.00 0.00 C ATOM 650 CG LYS A 42 -39.731 -13.967 -5.260 1.00 0.00 C ATOM 651 CD LYS A 42 -38.722 -14.507 -4.258 1.00 0.00 C ATOM 652 CE LYS A 42 -38.866 -13.836 -2.904 1.00 0.00 C ATOM 653 NZ LYS A 42 -37.732 -14.174 -2.000 1.00 0.00 N ATOM 654 H LYS A 42 -38.098 -11.475 -7.864 1.00 0.00 H ATOM 655 HA LYS A 42 -40.705 -12.661 -7.285 1.00 0.00 H ATOM 656 HB2 LYS A 42 -38.535 -12.207 -5.284 1.00 0.00 H ATOM 657 HB3 LYS A 42 -40.202 -11.947 -4.790 1.00 0.00 H ATOM 658 HG2 LYS A 42 -40.726 -14.156 -4.888 1.00 0.00 H ATOM 659 HG3 LYS A 42 -39.596 -14.479 -6.201 1.00 0.00 H ATOM 660 HD2 LYS A 42 -38.880 -15.568 -4.140 1.00 0.00 H ATOM 661 HD3 LYS A 42 -37.725 -14.330 -4.634 1.00 0.00 H ATOM 662 HE2 LYS A 42 -38.895 -12.766 -3.046 1.00 0.00 H ATOM 663 HE3 LYS A 42 -39.788 -14.164 -2.448 1.00 0.00 H ATOM 664 HZ1 LYS A 42 -36.829 -14.049 -2.498 1.00 0.00 H ATOM 665 HZ2 LYS A 42 -37.745 -13.554 -1.164 1.00 0.00 H ATOM 666 HZ3 LYS A 42 -37.808 -15.161 -1.685 1.00 0.00 H ATOM 667 N ARG A 43 -39.582 -9.661 -7.396 1.00 0.00 N ATOM 668 CA ARG A 43 -39.937 -8.244 -7.441 1.00 0.00 C ATOM 669 C ARG A 43 -39.522 -7.535 -6.154 1.00 0.00 C ATOM 670 O ARG A 43 -40.265 -6.712 -5.620 1.00 0.00 O ATOM 671 CB ARG A 43 -41.437 -8.067 -7.670 1.00 0.00 C ATOM 672 CG ARG A 43 -41.796 -6.764 -8.373 1.00 0.00 C ATOM 673 CD ARG A 43 -41.857 -6.937 -9.882 1.00 0.00 C ATOM 674 NE ARG A 43 -40.697 -7.657 -10.399 1.00 0.00 N ATOM 675 CZ ARG A 43 -40.747 -8.477 -11.444 1.00 0.00 C ATOM 676 NH1 ARG A 43 -41.897 -8.679 -12.075 1.00 0.00 N ATOM 677 NH2 ARG A 43 -39.649 -9.093 -11.862 1.00 0.00 N ATOM 678 H ARG A 43 -38.709 -9.941 -7.736 1.00 0.00 H ATOM 679 HA ARG A 43 -39.406 -7.800 -8.267 1.00 0.00 H ATOM 680 HB2 ARG A 43 -41.795 -8.888 -8.269 1.00 0.00 H ATOM 681 HB3 ARG A 43 -41.938 -8.084 -6.713 1.00 0.00 H ATOM 682 HG2 ARG A 43 -42.762 -6.428 -8.023 1.00 0.00 H ATOM 683 HG3 ARG A 43 -41.048 -6.022 -8.136 1.00 0.00 H ATOM 684 HD2 ARG A 43 -42.752 -7.489 -10.133 1.00 0.00 H ATOM 685 HD3 ARG A 43 -41.898 -5.961 -10.341 1.00 0.00 H ATOM 686 HE ARG A 43 -39.838 -7.521 -9.947 1.00 0.00 H ATOM 687 HH11 ARG A 43 -42.726 -8.216 -11.763 1.00 0.00 H ATOM 688 HH12 ARG A 43 -41.934 -9.296 -12.860 1.00 0.00 H ATOM 689 HH21 ARG A 43 -38.781 -8.942 -11.390 1.00 0.00 H ATOM 690 HH22 ARG A 43 -39.690 -9.709 -12.648 1.00 0.00 H ATOM 691 N ASN A 44 -38.327 -7.856 -5.666 1.00 0.00 N ATOM 692 CA ASN A 44 -37.804 -7.249 -4.446 1.00 0.00 C ATOM 693 C ASN A 44 -36.317 -6.945 -4.607 1.00 0.00 C ATOM 694 O ASN A 44 -35.504 -7.857 -4.744 1.00 0.00 O ATOM 695 CB ASN A 44 -38.033 -8.180 -3.244 1.00 0.00 C ATOM 696 CG ASN A 44 -39.063 -9.254 -3.530 1.00 0.00 C ATOM 697 OD1 ASN A 44 -38.722 -10.364 -3.939 1.00 0.00 O ATOM 698 ND2 ASN A 44 -40.333 -8.930 -3.315 1.00 0.00 N ATOM 699 H ASN A 44 -37.782 -8.517 -6.140 1.00 0.00 H ATOM 700 HA ASN A 44 -38.332 -6.320 -4.282 1.00 0.00 H ATOM 701 HB2 ASN A 44 -37.104 -8.667 -2.982 1.00 0.00 H ATOM 702 HB3 ASN A 44 -38.375 -7.595 -2.401 1.00 0.00 H ATOM 703 HD21 ASN A 44 -40.530 -8.027 -2.987 1.00 0.00 H ATOM 704 HD22 ASN A 44 -41.019 -9.606 -3.491 1.00 0.00 H ATOM 705 N LEU A 45 -35.971 -5.661 -4.601 1.00 0.00 N ATOM 706 CA LEU A 45 -34.582 -5.246 -4.765 1.00 0.00 C ATOM 707 C LEU A 45 -33.847 -5.235 -3.434 1.00 0.00 C ATOM 708 O LEU A 45 -34.450 -5.067 -2.375 1.00 0.00 O ATOM 709 CB LEU A 45 -34.503 -3.864 -5.436 1.00 0.00 C ATOM 710 CG LEU A 45 -35.726 -2.969 -5.234 1.00 0.00 C ATOM 711 CD1 LEU A 45 -35.355 -1.508 -5.448 1.00 0.00 C ATOM 712 CD2 LEU A 45 -36.850 -3.381 -6.175 1.00 0.00 C ATOM 713 H LEU A 45 -36.664 -4.978 -4.496 1.00 0.00 H ATOM 714 HA LEU A 45 -34.105 -5.964 -5.404 1.00 0.00 H ATOM 715 HB2 LEU A 45 -33.637 -3.345 -5.051 1.00 0.00 H ATOM 716 HB3 LEU A 45 -34.368 -4.011 -6.498 1.00 0.00 H ATOM 717 HG LEU A 45 -36.080 -3.076 -4.218 1.00 0.00 H ATOM 718 HD11 LEU A 45 -34.566 -1.234 -4.763 1.00 0.00 H ATOM 719 HD12 LEU A 45 -35.014 -1.367 -6.464 1.00 0.00 H ATOM 720 HD13 LEU A 45 -36.219 -0.885 -5.268 1.00 0.00 H ATOM 721 HD21 LEU A 45 -36.779 -4.438 -6.385 1.00 0.00 H ATOM 722 HD22 LEU A 45 -37.803 -3.169 -5.713 1.00 0.00 H ATOM 723 HD23 LEU A 45 -36.768 -2.826 -7.099 1.00 0.00 H ATOM 724 N GLN A 46 -32.534 -5.427 -3.505 1.00 0.00 N ATOM 725 CA GLN A 46 -31.698 -5.450 -2.313 1.00 0.00 C ATOM 726 C GLN A 46 -30.339 -4.811 -2.580 1.00 0.00 C ATOM 727 O GLN A 46 -29.760 -4.973 -3.657 1.00 0.00 O ATOM 728 CB GLN A 46 -31.519 -6.888 -1.830 1.00 0.00 C ATOM 729 CG GLN A 46 -32.741 -7.439 -1.116 1.00 0.00 C ATOM 730 CD GLN A 46 -32.780 -8.954 -1.111 1.00 0.00 C ATOM 731 OE1 GLN A 46 -31.748 -9.612 -0.991 1.00 0.00 O ATOM 732 NE2 GLN A 46 -33.976 -9.515 -1.239 1.00 0.00 N ATOM 733 H GLN A 46 -32.118 -5.564 -4.383 1.00 0.00 H ATOM 734 HA GLN A 46 -32.201 -4.883 -1.543 1.00 0.00 H ATOM 735 HB2 GLN A 46 -31.308 -7.518 -2.681 1.00 0.00 H ATOM 736 HB3 GLN A 46 -30.683 -6.924 -1.148 1.00 0.00 H ATOM 737 HG2 GLN A 46 -32.734 -7.091 -0.095 1.00 0.00 H ATOM 738 HG3 GLN A 46 -33.627 -7.072 -1.614 1.00 0.00 H ATOM 739 HE21 GLN A 46 -34.757 -8.927 -1.329 1.00 0.00 H ATOM 740 HE22 GLN A 46 -34.031 -10.493 -1.237 1.00 0.00 H ATOM 741 N CYS A 47 -29.848 -4.082 -1.583 1.00 0.00 N ATOM 742 CA CYS A 47 -28.561 -3.400 -1.672 1.00 0.00 C ATOM 743 C CYS A 47 -27.398 -4.391 -1.653 1.00 0.00 C ATOM 744 O CYS A 47 -26.863 -4.716 -0.594 1.00 0.00 O ATOM 745 CB CYS A 47 -28.431 -2.389 -0.514 1.00 0.00 C ATOM 746 SG CYS A 47 -28.149 -0.653 -1.011 1.00 0.00 S ATOM 747 H CYS A 47 -30.370 -3.998 -0.757 1.00 0.00 H ATOM 748 HA CYS A 47 -28.538 -2.870 -2.607 1.00 0.00 H ATOM 749 HB2 CYS A 47 -29.343 -2.408 0.062 1.00 0.00 H ATOM 750 HB3 CYS A 47 -27.612 -2.679 0.128 1.00 0.00 H ATOM 751 N ILE A 48 -26.995 -4.853 -2.833 1.00 0.00 N ATOM 752 CA ILE A 48 -25.880 -5.782 -2.939 1.00 0.00 C ATOM 753 C ILE A 48 -24.568 -5.011 -3.027 1.00 0.00 C ATOM 754 O ILE A 48 -24.355 -4.236 -3.965 1.00 0.00 O ATOM 755 CB ILE A 48 -26.027 -6.720 -4.157 1.00 0.00 C ATOM 756 CG1 ILE A 48 -27.130 -7.751 -3.883 1.00 0.00 C ATOM 757 CG2 ILE A 48 -24.700 -7.408 -4.469 1.00 0.00 C ATOM 758 CD1 ILE A 48 -27.247 -8.830 -4.939 1.00 0.00 C ATOM 759 H ILE A 48 -27.446 -4.547 -3.648 1.00 0.00 H ATOM 760 HA ILE A 48 -25.867 -6.386 -2.044 1.00 0.00 H ATOM 761 HB ILE A 48 -26.305 -6.122 -5.012 1.00 0.00 H ATOM 762 HG12 ILE A 48 -26.931 -8.236 -2.940 1.00 0.00 H ATOM 763 HG13 ILE A 48 -28.081 -7.240 -3.825 1.00 0.00 H ATOM 764 HG21 ILE A 48 -24.312 -7.868 -3.573 1.00 0.00 H ATOM 765 HG22 ILE A 48 -24.850 -8.165 -5.225 1.00 0.00 H ATOM 766 HG23 ILE A 48 -23.993 -6.678 -4.834 1.00 0.00 H ATOM 767 HD11 ILE A 48 -26.971 -8.425 -5.901 1.00 0.00 H ATOM 768 HD12 ILE A 48 -26.587 -9.648 -4.691 1.00 0.00 H ATOM 769 HD13 ILE A 48 -28.265 -9.187 -4.977 1.00 0.00 H ATOM 770 N CYS A 49 -23.703 -5.212 -2.033 1.00 0.00 N ATOM 771 CA CYS A 49 -22.415 -4.523 -1.984 1.00 0.00 C ATOM 772 C CYS A 49 -21.287 -5.399 -2.521 1.00 0.00 C ATOM 773 O CYS A 49 -20.947 -6.427 -1.932 1.00 0.00 O ATOM 774 CB CYS A 49 -22.097 -4.092 -0.552 1.00 0.00 C ATOM 775 SG CYS A 49 -23.309 -2.936 0.170 1.00 0.00 S ATOM 776 H CYS A 49 -23.939 -5.831 -1.308 1.00 0.00 H ATOM 777 HA CYS A 49 -22.488 -3.640 -2.603 1.00 0.00 H ATOM 778 HB2 CYS A 49 -22.063 -4.966 0.079 1.00 0.00 H ATOM 779 HB3 CYS A 49 -21.132 -3.608 -0.538 1.00 0.00 H ATOM 780 N ASP A 50 -20.706 -4.972 -3.637 1.00 0.00 N ATOM 781 CA ASP A 50 -19.600 -5.691 -4.262 1.00 0.00 C ATOM 782 C ASP A 50 -18.267 -5.073 -3.863 1.00 0.00 C ATOM 783 O ASP A 50 -18.088 -3.853 -3.907 1.00 0.00 O ATOM 784 CB ASP A 50 -19.749 -5.690 -5.784 1.00 0.00 C ATOM 785 CG ASP A 50 -20.741 -6.730 -6.270 1.00 0.00 C ATOM 786 OD1 ASP A 50 -21.884 -6.739 -5.769 1.00 0.00 O ATOM 787 OD2 ASP A 50 -20.372 -7.537 -7.149 1.00 0.00 O ATOM 788 H ASP A 50 -21.023 -4.143 -4.046 1.00 0.00 H ATOM 789 HA ASP A 50 -19.618 -6.710 -3.907 1.00 0.00 H ATOM 790 HB2 ASP A 50 -20.091 -4.718 -6.106 1.00 0.00 H ATOM 791 HB3 ASP A 50 -18.789 -5.896 -6.235 1.00 0.00 H ATOM 792 N TYR A 51 -17.338 -5.928 -3.459 1.00 0.00 N ATOM 793 CA TYR A 51 -16.016 -5.488 -3.032 1.00 0.00 C ATOM 794 C TYR A 51 -14.977 -5.717 -4.127 1.00 0.00 C ATOM 795 O TYR A 51 -14.006 -4.967 -4.241 1.00 0.00 O ATOM 796 CB TYR A 51 -15.621 -6.238 -1.767 1.00 0.00 C ATOM 797 CG TYR A 51 -16.425 -5.841 -0.547 1.00 0.00 C ATOM 798 CD1 TYR A 51 -17.786 -6.111 -0.471 1.00 0.00 C ATOM 799 CD2 TYR A 51 -15.823 -5.203 0.528 1.00 0.00 C ATOM 800 CE1 TYR A 51 -18.526 -5.757 0.640 1.00 0.00 C ATOM 801 CE2 TYR A 51 -16.556 -4.843 1.644 1.00 0.00 C ATOM 802 CZ TYR A 51 -17.905 -5.122 1.696 1.00 0.00 C ATOM 803 OH TYR A 51 -18.636 -4.768 2.806 1.00 0.00 O ATOM 804 H TYR A 51 -17.549 -6.885 -3.436 1.00 0.00 H ATOM 805 HA TYR A 51 -16.065 -4.431 -2.812 1.00 0.00 H ATOM 806 HB2 TYR A 51 -15.776 -7.293 -1.932 1.00 0.00 H ATOM 807 HB3 TYR A 51 -14.577 -6.056 -1.555 1.00 0.00 H ATOM 808 HD1 TYR A 51 -18.270 -6.604 -1.300 1.00 0.00 H ATOM 809 HD2 TYR A 51 -14.766 -4.985 0.485 1.00 0.00 H ATOM 810 HE1 TYR A 51 -19.584 -5.978 0.677 1.00 0.00 H ATOM 811 HE2 TYR A 51 -16.069 -4.347 2.470 1.00 0.00 H ATOM 812 HH TYR A 51 -19.568 -4.750 2.585 1.00 0.00 H ATOM 813 N CYS A 52 -15.186 -6.754 -4.935 1.00 0.00 N ATOM 814 CA CYS A 52 -14.266 -7.076 -6.025 1.00 0.00 C ATOM 815 C CYS A 52 -14.768 -6.487 -7.339 1.00 0.00 C ATOM 816 O CYS A 52 -14.031 -5.799 -8.044 1.00 0.00 O ATOM 817 CB CYS A 52 -14.106 -8.592 -6.172 1.00 0.00 C ATOM 818 SG CYS A 52 -13.178 -9.386 -4.819 1.00 0.00 S ATOM 819 H CYS A 52 -15.979 -7.314 -4.798 1.00 0.00 H ATOM 820 HA CYS A 52 -13.305 -6.641 -5.793 1.00 0.00 H ATOM 821 HB2 CYS A 52 -15.083 -9.048 -6.210 1.00 0.00 H ATOM 822 HB3 CYS A 52 -13.582 -8.799 -7.094 1.00 0.00 H ATOM 823 N GLU A 53 -16.028 -6.764 -7.659 1.00 0.00 N ATOM 824 CA GLU A 53 -16.636 -6.265 -8.887 1.00 0.00 C ATOM 825 C GLU A 53 -15.893 -6.778 -10.113 1.00 0.00 C ATOM 826 O GLU A 53 -14.802 -6.306 -10.436 1.00 0.00 O ATOM 827 CB GLU A 53 -16.655 -4.735 -8.890 1.00 0.00 C ATOM 828 CG GLU A 53 -17.792 -4.144 -9.710 1.00 0.00 C ATOM 829 CD GLU A 53 -17.467 -2.766 -10.255 1.00 0.00 C ATOM 830 OE1 GLU A 53 -16.496 -2.650 -11.031 1.00 0.00 O ATOM 831 OE2 GLU A 53 -18.184 -1.805 -9.908 1.00 0.00 O ATOM 832 H GLU A 53 -16.562 -7.319 -7.054 1.00 0.00 H ATOM 833 HA GLU A 53 -17.653 -6.627 -8.922 1.00 0.00 H ATOM 834 HB2 GLU A 53 -16.753 -4.385 -7.873 1.00 0.00 H ATOM 835 HB3 GLU A 53 -15.722 -4.374 -9.297 1.00 0.00 H ATOM 836 HG2 GLU A 53 -18.000 -4.802 -10.540 1.00 0.00 H ATOM 837 HG3 GLU A 53 -18.668 -4.069 -9.083 1.00 0.00 H ATOM 838 N TYR A 54 -16.491 -7.746 -10.798 1.00 0.00 N ATOM 839 CA TYR A 54 -15.887 -8.318 -11.993 1.00 0.00 C ATOM 840 C TYR A 54 -15.885 -7.299 -13.128 1.00 0.00 C ATOM 841 O TYR A 54 -16.722 -6.373 -13.092 1.00 0.00 O ATOM 842 CB TYR A 54 -16.642 -9.589 -12.407 1.00 0.00 C ATOM 843 CG TYR A 54 -16.683 -9.834 -13.900 1.00 0.00 C ATOM 844 CD1 TYR A 54 -17.677 -9.267 -14.689 1.00 0.00 C ATOM 845 CD2 TYR A 54 -15.732 -10.634 -14.520 1.00 0.00 C ATOM 846 CE1 TYR A 54 -17.719 -9.490 -16.052 1.00 0.00 C ATOM 847 CE2 TYR A 54 -15.768 -10.862 -15.881 1.00 0.00 C ATOM 848 CZ TYR A 54 -16.763 -10.289 -16.643 1.00 0.00 C ATOM 849 OH TYR A 54 -16.801 -10.515 -18.000 1.00 0.00 O ATOM 850 OXT TYR A 54 -15.045 -7.434 -14.043 1.00 0.00 O ATOM 851 H TYR A 54 -17.361 -8.080 -10.495 1.00 0.00 H ATOM 852 HA TYR A 54 -14.865 -8.576 -11.756 1.00 0.00 H ATOM 853 HB2 TYR A 54 -16.168 -10.443 -11.948 1.00 0.00 H ATOM 854 HB3 TYR A 54 -17.661 -9.520 -12.055 1.00 0.00 H ATOM 855 HD1 TYR A 54 -18.424 -8.640 -14.223 1.00 0.00 H ATOM 856 HD2 TYR A 54 -14.952 -11.081 -13.920 1.00 0.00 H ATOM 857 HE1 TYR A 54 -18.499 -9.041 -16.649 1.00 0.00 H ATOM 858 HE2 TYR A 54 -15.019 -11.489 -16.344 1.00 0.00 H ATOM 859 HH TYR A 54 -17.673 -10.294 -18.336 1.00 0.00 H TER 860 TYR A 54 CONECT 1 2 5 9 CONECT 2 1 3 7 10 CONECT 3 2 4 11 12 CONECT 4 3 5 13 14 CONECT 5 1 4 6 CONECT 6 5 CONECT 7 2 8 15 CONECT 8 7 CONECT 9 1 CONECT 10 2 CONECT 11 3 CONECT 12 3 CONECT 13 4 CONECT 14 4 CONECT 15 7 CONECT 54 818 CONECT 258 572 CONECT 345 746 CONECT 402 775 CONECT 572 258 CONECT 746 345 CONECT 775 402 CONECT 818 54 MASTER 100 0 1 1 3 0 0 6 859 1 23 5 END