HEADER ANTIMICROBIAL PROTEIN 06-FEB-15 2MZ6 TITLE NMR STRUCTURE OF PROTEGRIN-3 (PG3) IN THE PRESENCE OF DPC MICELLES COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEGRIN-3; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: UNP RESIDUES 131-148; COMPND 5 SYNONYM: PG-3; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SUS SCROFA; SOURCE 4 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR; SOURCE 5 ORGANISM_TAXID: 9823 KEYWDS PROTEGRIN, ANTIMICROBIAL PROTEIN, DPC MICELLE, DIMER EXPDTA SOLUTION NMR AUTHOR K.S.USACHEV,S.V.EFIMOV,O.A.KOLOSOVA,E.A.KLOCHKOVA,A.V.AGANOV, AUTHOR 2 V.V.KLOCHKOV REVDAT 3 27-MAY-15 2MZ6 1 JRNL REVDAT 2 01-APR-15 2MZ6 1 JRNL REVDAT 1 25-MAR-15 2MZ6 0 JRNL AUTH K.S.USACHEV,S.V.EFIMOV,O.A.KOLOSOVA,E.A.KLOCHKOVA, JRNL AUTH 2 A.V.AGANOV,V.V.KLOCHKOV JRNL TITL ANTIMICROBIAL PEPTIDE PROTEGRIN-3 ADOPT AN ANTIPARALLEL JRNL TITL 2 DIMER IN THE PRESENCE OF DPC MICELLES: A HIGH-RESOLUTION NMR JRNL TITL 3 STUDY. JRNL REF J.BIOMOL.NMR V. 62 71 2015 JRNL REFN ISSN 0925-2738 JRNL PMID 25786621 JRNL DOI 10.1007/S10858-015-9920-0 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MZ6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-FEB-15. REMARK 100 THE RCSB ID CODE IS RCSB104219. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MG/ML PEPTIDE, 20 MG/ML [U-99% REMARK 210 2H] DPC, 0.01 % [U-99% 2H] TSP, REMARK 210 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H COSY; 2D REMARK 210 1H-1H TOCSY; 2D 1H-1H NOESY; 2D REMARK 210 1H-15N HSQC; 2D 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, SPARKY, X-PLOR_NIH REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 560 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 4000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 ARG A 10 -129.05 52.84 REMARK 500 ARG A 11 47.11 -109.29 REMARK 500 ARG B 10 -129.53 52.52 REMARK 500 ARG B 11 41.73 -109.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 25474 RELATED DB: BMRB REMARK 900 RELATED ID: 2MZ5 RELATED DB: PDB DBREF 2MZ6 A 1 18 UNP P32196 PG3_PIG 131 148 DBREF 2MZ6 B 1 18 UNP P32196 PG3_PIG 131 148 SEQRES 1 A 18 ARG GLY GLY GLY LEU CYS TYR CYS ARG ARG ARG PHE CYS SEQRES 2 A 18 VAL CYS VAL GLY ARG SEQRES 1 B 18 ARG GLY GLY GLY LEU CYS TYR CYS ARG ARG ARG PHE CYS SEQRES 2 B 18 VAL CYS VAL GLY ARG SHEET 1 A 4 LEU A 5 ARG A 9 0 SHEET 2 A 4 PHE A 12 GLY A 17 -1 O VAL A 14 N TYR A 7 SHEET 3 A 4 PHE B 12 GLY B 17 -1 O CYS B 15 N CYS A 15 SHEET 4 A 4 GLY B 4 ARG B 9 -1 N TYR B 7 O VAL B 14 SSBOND 1 CYS A 6 CYS A 15 1555 1555 2.02 SSBOND 2 CYS A 8 CYS A 13 1555 1555 2.02 SSBOND 3 CYS B 6 CYS B 15 1555 1555 2.02 SSBOND 4 CYS B 8 CYS B 13 1555 1555 2.02 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 ATOM 1 N ARG A 1 40.707 9.157 -12.634 1.00 0.00 N ATOM 2 CA ARG A 1 39.244 9.078 -12.918 1.00 0.00 C ATOM 3 C ARG A 1 38.482 8.666 -11.655 1.00 0.00 C ATOM 4 O ARG A 1 39.067 8.427 -10.616 1.00 0.00 O ATOM 5 CB ARG A 1 39.108 8.005 -14.000 1.00 0.00 C ATOM 6 CG ARG A 1 38.954 8.671 -15.372 1.00 0.00 C ATOM 7 CD ARG A 1 40.205 8.409 -16.215 1.00 0.00 C ATOM 8 NE ARG A 1 40.019 7.035 -16.766 1.00 0.00 N ATOM 9 CZ ARG A 1 40.759 6.607 -17.760 1.00 0.00 C ATOM 10 NH1 ARG A 1 41.678 7.374 -18.289 1.00 0.00 N ATOM 11 NH2 ARG A 1 40.577 5.402 -18.228 1.00 0.00 N ATOM 12 H1 ARG A 1 40.889 9.933 -11.966 1.00 0.00 H ATOM 13 H2 ARG A 1 41.222 9.334 -13.521 1.00 0.00 H ATOM 14 H3 ARG A 1 41.028 8.261 -12.218 1.00 0.00 H ATOM 15 HA ARG A 1 38.880 10.024 -13.287 1.00 0.00 H ATOM 16 HB2 ARG A 1 39.989 7.380 -13.998 1.00 0.00 H ATOM 17 HB3 ARG A 1 38.237 7.400 -13.798 1.00 0.00 H ATOM 18 HG2 ARG A 1 38.090 8.262 -15.874 1.00 0.00 H ATOM 19 HG3 ARG A 1 38.825 9.736 -15.246 1.00 0.00 H ATOM 20 HD2 ARG A 1 40.275 9.132 -17.016 1.00 0.00 H ATOM 21 HD3 ARG A 1 41.089 8.443 -15.597 1.00 0.00 H ATOM 22 HE ARG A 1 39.336 6.446 -16.381 1.00 0.00 H ATOM 23 HH11 ARG A 1 41.825 8.298 -17.938 1.00 0.00 H ATOM 24 HH12 ARG A 1 42.235 7.035 -19.047 1.00 0.00 H ATOM 25 HH21 ARG A 1 39.877 4.811 -17.828 1.00 0.00 H ATOM 26 HH22 ARG A 1 41.138 5.070 -18.986 1.00 0.00 H ATOM 27 N GLY A 2 37.181 8.582 -11.738 1.00 0.00 N ATOM 28 CA GLY A 2 36.379 8.185 -10.545 1.00 0.00 C ATOM 29 C GLY A 2 36.083 6.686 -10.604 1.00 0.00 C ATOM 30 O GLY A 2 36.440 6.010 -11.550 1.00 0.00 O ATOM 31 H GLY A 2 36.732 8.779 -12.586 1.00 0.00 H ATOM 32 HA2 GLY A 2 36.937 8.409 -9.646 1.00 0.00 H ATOM 33 HA3 GLY A 2 35.449 8.732 -10.538 1.00 0.00 H ATOM 34 N GLY A 3 35.432 6.160 -9.601 1.00 0.00 N ATOM 35 CA GLY A 3 35.112 4.704 -9.598 1.00 0.00 C ATOM 36 C GLY A 3 34.255 4.370 -8.375 1.00 0.00 C ATOM 37 O GLY A 3 33.445 5.164 -7.939 1.00 0.00 O ATOM 38 H GLY A 3 35.154 6.724 -8.849 1.00 0.00 H ATOM 39 HA2 GLY A 3 34.570 4.453 -10.499 1.00 0.00 H ATOM 40 HA3 GLY A 3 36.027 4.134 -9.557 1.00 0.00 H ATOM 41 N GLY A 4 34.428 3.200 -7.820 1.00 0.00 N ATOM 42 CA GLY A 4 33.624 2.813 -6.625 1.00 0.00 C ATOM 43 C GLY A 4 34.454 1.896 -5.725 1.00 0.00 C ATOM 44 O GLY A 4 35.290 1.146 -6.189 1.00 0.00 O ATOM 45 H GLY A 4 35.087 2.576 -8.189 1.00 0.00 H ATOM 46 HA2 GLY A 4 33.344 3.701 -6.077 1.00 0.00 H ATOM 47 HA3 GLY A 4 32.735 2.290 -6.944 1.00 0.00 H ATOM 48 N LEU A 5 34.228 1.951 -4.440 1.00 0.00 N ATOM 49 CA LEU A 5 35.003 1.082 -3.505 1.00 0.00 C ATOM 50 C LEU A 5 34.072 0.063 -2.843 1.00 0.00 C ATOM 51 O LEU A 5 33.034 0.409 -2.314 1.00 0.00 O ATOM 52 CB LEU A 5 35.584 2.041 -2.460 1.00 0.00 C ATOM 53 CG LEU A 5 37.109 2.109 -2.602 1.00 0.00 C ATOM 54 CD1 LEU A 5 37.715 0.725 -2.348 1.00 0.00 C ATOM 55 CD2 LEU A 5 37.474 2.574 -4.015 1.00 0.00 C ATOM 56 H LEU A 5 33.549 2.563 -4.088 1.00 0.00 H ATOM 57 HA LEU A 5 35.799 0.580 -4.031 1.00 0.00 H ATOM 58 HB2 LEU A 5 35.166 3.026 -2.605 1.00 0.00 H ATOM 59 HB3 LEU A 5 35.334 1.688 -1.470 1.00 0.00 H ATOM 60 HG LEU A 5 37.504 2.809 -1.879 1.00 0.00 H ATOM 61 HD11 LEU A 5 38.533 0.559 -3.033 1.00 0.00 H ATOM 62 HD12 LEU A 5 36.961 -0.033 -2.497 1.00 0.00 H ATOM 63 HD13 LEU A 5 38.081 0.674 -1.333 1.00 0.00 H ATOM 64 HD21 LEU A 5 38.395 3.138 -3.981 1.00 0.00 H ATOM 65 HD22 LEU A 5 36.683 3.198 -4.404 1.00 0.00 H ATOM 66 HD23 LEU A 5 37.602 1.714 -4.656 1.00 0.00 H ATOM 67 N CYS A 6 34.436 -1.192 -2.869 1.00 0.00 N ATOM 68 CA CYS A 6 33.572 -2.234 -2.241 1.00 0.00 C ATOM 69 C CYS A 6 34.420 -3.187 -1.394 1.00 0.00 C ATOM 70 O CYS A 6 35.402 -3.734 -1.854 1.00 0.00 O ATOM 71 CB CYS A 6 32.938 -2.981 -3.415 1.00 0.00 C ATOM 72 SG CYS A 6 31.360 -2.204 -3.844 1.00 0.00 S ATOM 73 H CYS A 6 35.277 -1.448 -3.301 1.00 0.00 H ATOM 74 HA CYS A 6 32.805 -1.775 -1.639 1.00 0.00 H ATOM 75 HB2 CYS A 6 33.601 -2.944 -4.266 1.00 0.00 H ATOM 76 HB3 CYS A 6 32.767 -4.011 -3.136 1.00 0.00 H ATOM 77 N TYR A 7 34.043 -3.389 -0.160 1.00 0.00 N ATOM 78 CA TYR A 7 34.823 -4.308 0.720 1.00 0.00 C ATOM 79 C TYR A 7 33.944 -5.481 1.164 1.00 0.00 C ATOM 80 O TYR A 7 32.828 -5.297 1.610 1.00 0.00 O ATOM 81 CB TYR A 7 35.229 -3.455 1.924 1.00 0.00 C ATOM 82 CG TYR A 7 36.683 -3.065 1.800 1.00 0.00 C ATOM 83 CD1 TYR A 7 37.081 -2.149 0.819 1.00 0.00 C ATOM 84 CD2 TYR A 7 37.632 -3.619 2.667 1.00 0.00 C ATOM 85 CE1 TYR A 7 38.429 -1.788 0.705 1.00 0.00 C ATOM 86 CE2 TYR A 7 38.980 -3.258 2.553 1.00 0.00 C ATOM 87 CZ TYR A 7 39.378 -2.342 1.573 1.00 0.00 C ATOM 88 OH TYR A 7 40.707 -1.985 1.460 1.00 0.00 O ATOM 89 H TYR A 7 33.246 -2.938 0.188 1.00 0.00 H ATOM 90 HA TYR A 7 35.701 -4.667 0.208 1.00 0.00 H ATOM 91 HB2 TYR A 7 34.618 -2.565 1.957 1.00 0.00 H ATOM 92 HB3 TYR A 7 35.086 -4.023 2.832 1.00 0.00 H ATOM 93 HD1 TYR A 7 36.349 -1.722 0.150 1.00 0.00 H ATOM 94 HD2 TYR A 7 37.325 -4.326 3.424 1.00 0.00 H ATOM 95 HE1 TYR A 7 38.736 -1.081 -0.051 1.00 0.00 H ATOM 96 HE2 TYR A 7 39.712 -3.685 3.222 1.00 0.00 H ATOM 97 HH TYR A 7 40.783 -1.053 1.674 1.00 0.00 H ATOM 98 N CYS A 8 34.437 -6.684 1.041 1.00 0.00 N ATOM 99 CA CYS A 8 33.629 -7.869 1.453 1.00 0.00 C ATOM 100 C CYS A 8 34.454 -8.782 2.366 1.00 0.00 C ATOM 101 O CYS A 8 35.615 -9.041 2.114 1.00 0.00 O ATOM 102 CB CYS A 8 33.283 -8.587 0.145 1.00 0.00 C ATOM 103 SG CYS A 8 31.500 -8.894 0.070 1.00 0.00 S ATOM 104 H CYS A 8 35.338 -6.808 0.677 1.00 0.00 H ATOM 105 HA CYS A 8 32.727 -7.554 1.952 1.00 0.00 H ATOM 106 HB2 CYS A 8 33.576 -7.970 -0.692 1.00 0.00 H ATOM 107 HB3 CYS A 8 33.812 -9.528 0.100 1.00 0.00 H ATOM 108 N ARG A 9 33.862 -9.271 3.422 1.00 0.00 N ATOM 109 CA ARG A 9 34.608 -10.168 4.353 1.00 0.00 C ATOM 110 C ARG A 9 33.625 -11.037 5.146 1.00 0.00 C ATOM 111 O ARG A 9 32.568 -10.587 5.544 1.00 0.00 O ATOM 112 CB ARG A 9 35.370 -9.227 5.290 1.00 0.00 C ATOM 113 CG ARG A 9 36.877 -9.360 5.044 1.00 0.00 C ATOM 114 CD ARG A 9 37.617 -9.369 6.384 1.00 0.00 C ATOM 115 NE ARG A 9 38.933 -8.724 6.104 1.00 0.00 N ATOM 116 CZ ARG A 9 39.928 -8.839 6.950 1.00 0.00 C ATOM 117 NH1 ARG A 9 39.788 -9.518 8.060 1.00 0.00 N ATOM 118 NH2 ARG A 9 41.071 -8.268 6.684 1.00 0.00 N ATOM 119 H ARG A 9 32.925 -9.048 3.604 1.00 0.00 H ATOM 120 HA ARG A 9 35.301 -10.786 3.803 1.00 0.00 H ATOM 121 HB2 ARG A 9 35.064 -8.208 5.102 1.00 0.00 H ATOM 122 HB3 ARG A 9 35.151 -9.484 6.315 1.00 0.00 H ATOM 123 HG2 ARG A 9 37.076 -10.282 4.516 1.00 0.00 H ATOM 124 HG3 ARG A 9 37.219 -8.525 4.451 1.00 0.00 H ATOM 125 HD2 ARG A 9 37.065 -8.800 7.120 1.00 0.00 H ATOM 126 HD3 ARG A 9 37.766 -10.381 6.724 1.00 0.00 H ATOM 127 HE ARG A 9 39.056 -8.209 5.278 1.00 0.00 H ATOM 128 HH11 ARG A 9 38.916 -9.958 8.274 1.00 0.00 H ATOM 129 HH12 ARG A 9 40.555 -9.598 8.696 1.00 0.00 H ATOM 130 HH21 ARG A 9 41.184 -7.746 5.838 1.00 0.00 H ATOM 131 HH22 ARG A 9 41.833 -8.351 7.325 1.00 0.00 H ATOM 132 N ARG A 10 33.963 -12.280 5.380 1.00 0.00 N ATOM 133 CA ARG A 10 33.047 -13.176 6.148 1.00 0.00 C ATOM 134 C ARG A 10 31.642 -13.161 5.517 1.00 0.00 C ATOM 135 O ARG A 10 31.495 -13.355 4.326 1.00 0.00 O ATOM 136 CB ARG A 10 33.038 -12.598 7.569 1.00 0.00 C ATOM 137 CG ARG A 10 32.639 -13.689 8.566 1.00 0.00 C ATOM 138 CD ARG A 10 33.508 -13.578 9.822 1.00 0.00 C ATOM 139 NE ARG A 10 33.767 -14.987 10.239 1.00 0.00 N ATOM 140 CZ ARG A 10 34.244 -15.255 11.430 1.00 0.00 C ATOM 141 NH1 ARG A 10 34.503 -14.292 12.279 1.00 0.00 N ATOM 142 NH2 ARG A 10 34.464 -16.494 11.774 1.00 0.00 N ATOM 143 H ARG A 10 34.820 -12.625 5.051 1.00 0.00 H ATOM 144 HA ARG A 10 33.437 -14.182 6.165 1.00 0.00 H ATOM 145 HB2 ARG A 10 34.025 -12.231 7.812 1.00 0.00 H ATOM 146 HB3 ARG A 10 32.330 -11.785 7.624 1.00 0.00 H ATOM 147 HG2 ARG A 10 31.600 -13.568 8.836 1.00 0.00 H ATOM 148 HG3 ARG A 10 32.783 -14.660 8.116 1.00 0.00 H ATOM 149 HD2 ARG A 10 34.436 -13.074 9.591 1.00 0.00 H ATOM 150 HD3 ARG A 10 32.977 -13.054 10.601 1.00 0.00 H ATOM 151 HE ARG A 10 33.580 -15.721 9.616 1.00 0.00 H ATOM 152 HH11 ARG A 10 34.338 -13.340 12.025 1.00 0.00 H ATOM 153 HH12 ARG A 10 34.866 -14.510 13.184 1.00 0.00 H ATOM 154 HH21 ARG A 10 34.269 -17.234 11.130 1.00 0.00 H ATOM 155 HH22 ARG A 10 34.828 -16.704 12.682 1.00 0.00 H ATOM 156 N ARG A 11 30.611 -12.935 6.294 1.00 0.00 N ATOM 157 CA ARG A 11 29.234 -12.912 5.719 1.00 0.00 C ATOM 158 C ARG A 11 28.685 -11.483 5.715 1.00 0.00 C ATOM 159 O ARG A 11 27.564 -11.238 6.119 1.00 0.00 O ATOM 160 CB ARG A 11 28.404 -13.804 6.644 1.00 0.00 C ATOM 161 CG ARG A 11 27.243 -14.423 5.859 1.00 0.00 C ATOM 162 CD ARG A 11 27.336 -15.950 5.917 1.00 0.00 C ATOM 163 NE ARG A 11 27.918 -16.352 4.604 1.00 0.00 N ATOM 164 CZ ARG A 11 27.206 -16.278 3.505 1.00 0.00 C ATOM 165 NH1 ARG A 11 25.970 -15.849 3.537 1.00 0.00 N ATOM 166 NH2 ARG A 11 27.736 -16.635 2.367 1.00 0.00 N ATOM 167 H ARG A 11 30.740 -12.780 7.250 1.00 0.00 H ATOM 168 HA ARG A 11 29.236 -13.319 4.720 1.00 0.00 H ATOM 169 HB2 ARG A 11 29.031 -14.589 7.044 1.00 0.00 H ATOM 170 HB3 ARG A 11 28.010 -13.211 7.456 1.00 0.00 H ATOM 171 HG2 ARG A 11 26.306 -14.103 6.292 1.00 0.00 H ATOM 172 HG3 ARG A 11 27.291 -14.101 4.829 1.00 0.00 H ATOM 173 HD2 ARG A 11 27.984 -16.256 6.728 1.00 0.00 H ATOM 174 HD3 ARG A 11 26.355 -16.384 6.035 1.00 0.00 H ATOM 175 HE ARG A 11 28.843 -16.674 4.561 1.00 0.00 H ATOM 176 HH11 ARG A 11 25.555 -15.572 4.403 1.00 0.00 H ATOM 177 HH12 ARG A 11 25.438 -15.798 2.691 1.00 0.00 H ATOM 178 HH21 ARG A 11 28.680 -16.963 2.337 1.00 0.00 H ATOM 179 HH22 ARG A 11 27.197 -16.582 1.526 1.00 0.00 H ATOM 180 N PHE A 12 29.466 -10.539 5.262 1.00 0.00 N ATOM 181 CA PHE A 12 28.991 -9.125 5.230 1.00 0.00 C ATOM 182 C PHE A 12 29.768 -8.329 4.172 1.00 0.00 C ATOM 183 O PHE A 12 30.923 -8.598 3.905 1.00 0.00 O ATOM 184 CB PHE A 12 29.248 -8.592 6.651 1.00 0.00 C ATOM 185 CG PHE A 12 30.494 -7.734 6.685 1.00 0.00 C ATOM 186 CD1 PHE A 12 30.416 -6.373 6.363 1.00 0.00 C ATOM 187 CD2 PHE A 12 31.725 -8.300 7.038 1.00 0.00 C ATOM 188 CE1 PHE A 12 31.569 -5.579 6.395 1.00 0.00 C ATOM 189 CE2 PHE A 12 32.877 -7.506 7.070 1.00 0.00 C ATOM 190 CZ PHE A 12 32.799 -6.146 6.748 1.00 0.00 C ATOM 191 H PHE A 12 30.365 -10.760 4.942 1.00 0.00 H ATOM 192 HA PHE A 12 27.934 -9.093 5.015 1.00 0.00 H ATOM 193 HB2 PHE A 12 28.402 -8.001 6.968 1.00 0.00 H ATOM 194 HB3 PHE A 12 29.371 -9.426 7.326 1.00 0.00 H ATOM 195 HD1 PHE A 12 29.467 -5.936 6.091 1.00 0.00 H ATOM 196 HD2 PHE A 12 31.785 -9.349 7.286 1.00 0.00 H ATOM 197 HE1 PHE A 12 31.509 -4.530 6.147 1.00 0.00 H ATOM 198 HE2 PHE A 12 33.827 -7.943 7.343 1.00 0.00 H ATOM 199 HZ PHE A 12 33.689 -5.533 6.773 1.00 0.00 H ATOM 200 N CYS A 13 29.140 -7.354 3.571 1.00 0.00 N ATOM 201 CA CYS A 13 29.838 -6.542 2.531 1.00 0.00 C ATOM 202 C CYS A 13 29.460 -5.065 2.671 1.00 0.00 C ATOM 203 O CYS A 13 28.370 -4.731 3.092 1.00 0.00 O ATOM 204 CB CYS A 13 29.341 -7.099 1.196 1.00 0.00 C ATOM 205 SG CYS A 13 30.683 -7.049 -0.018 1.00 0.00 S ATOM 206 H CYS A 13 28.209 -7.155 3.803 1.00 0.00 H ATOM 207 HA CYS A 13 30.906 -6.668 2.610 1.00 0.00 H ATOM 208 HB2 CYS A 13 29.016 -8.120 1.331 1.00 0.00 H ATOM 209 HB3 CYS A 13 28.514 -6.501 0.843 1.00 0.00 H ATOM 210 N VAL A 14 30.353 -4.179 2.319 1.00 0.00 N ATOM 211 CA VAL A 14 30.048 -2.723 2.429 1.00 0.00 C ATOM 212 C VAL A 14 30.703 -1.956 1.275 1.00 0.00 C ATOM 213 O VAL A 14 31.866 -2.146 0.974 1.00 0.00 O ATOM 214 CB VAL A 14 30.641 -2.294 3.774 1.00 0.00 C ATOM 215 CG1 VAL A 14 32.152 -2.536 3.775 1.00 0.00 C ATOM 216 CG2 VAL A 14 30.365 -0.806 4.003 1.00 0.00 C ATOM 217 H VAL A 14 31.226 -4.472 1.981 1.00 0.00 H ATOM 218 HA VAL A 14 28.982 -2.562 2.429 1.00 0.00 H ATOM 219 HB VAL A 14 30.186 -2.871 4.566 1.00 0.00 H ATOM 220 HG11 VAL A 14 32.354 -3.550 3.460 1.00 0.00 H ATOM 221 HG12 VAL A 14 32.541 -2.384 4.771 1.00 0.00 H ATOM 222 HG13 VAL A 14 32.628 -1.847 3.093 1.00 0.00 H ATOM 223 HG21 VAL A 14 29.427 -0.538 3.539 1.00 0.00 H ATOM 224 HG22 VAL A 14 31.162 -0.221 3.568 1.00 0.00 H ATOM 225 HG23 VAL A 14 30.311 -0.608 5.063 1.00 0.00 H ATOM 226 N CYS A 15 29.965 -1.094 0.628 1.00 0.00 N ATOM 227 CA CYS A 15 30.542 -0.316 -0.506 1.00 0.00 C ATOM 228 C CYS A 15 30.366 1.185 -0.262 1.00 0.00 C ATOM 229 O CYS A 15 29.417 1.614 0.364 1.00 0.00 O ATOM 230 CB CYS A 15 29.746 -0.757 -1.734 1.00 0.00 C ATOM 231 SG CYS A 15 30.224 -2.442 -2.191 1.00 0.00 S ATOM 232 H CYS A 15 29.030 -0.959 0.889 1.00 0.00 H ATOM 233 HA CYS A 15 31.585 -0.557 -0.637 1.00 0.00 H ATOM 234 HB2 CYS A 15 28.690 -0.732 -1.507 1.00 0.00 H ATOM 235 HB3 CYS A 15 29.953 -0.089 -2.557 1.00 0.00 H ATOM 236 N VAL A 16 31.274 1.986 -0.754 1.00 0.00 N ATOM 237 CA VAL A 16 31.162 3.461 -0.552 1.00 0.00 C ATOM 238 C VAL A 16 31.509 4.200 -1.848 1.00 0.00 C ATOM 239 O VAL A 16 32.379 3.790 -2.593 1.00 0.00 O ATOM 240 CB VAL A 16 32.176 3.793 0.546 1.00 0.00 C ATOM 241 CG1 VAL A 16 31.791 3.061 1.833 1.00 0.00 C ATOM 242 CG2 VAL A 16 33.578 3.353 0.107 1.00 0.00 C ATOM 243 H VAL A 16 32.031 1.617 -1.256 1.00 0.00 H ATOM 244 HA VAL A 16 30.168 3.721 -0.226 1.00 0.00 H ATOM 245 HB VAL A 16 32.172 4.858 0.726 1.00 0.00 H ATOM 246 HG11 VAL A 16 31.865 1.995 1.677 1.00 0.00 H ATOM 247 HG12 VAL A 16 30.776 3.315 2.102 1.00 0.00 H ATOM 248 HG13 VAL A 16 32.459 3.356 2.629 1.00 0.00 H ATOM 249 HG21 VAL A 16 33.525 2.894 -0.869 1.00 0.00 H ATOM 250 HG22 VAL A 16 33.973 2.641 0.817 1.00 0.00 H ATOM 251 HG23 VAL A 16 34.228 4.215 0.063 1.00 0.00 H ATOM 252 N GLY A 17 30.836 5.285 -2.121 1.00 0.00 N ATOM 253 CA GLY A 17 31.126 6.051 -3.367 1.00 0.00 C ATOM 254 C GLY A 17 30.877 7.540 -3.122 1.00 0.00 C ATOM 255 O GLY A 17 30.160 7.918 -2.216 1.00 0.00 O ATOM 256 H GLY A 17 30.140 5.597 -1.506 1.00 0.00 H ATOM 257 HA2 GLY A 17 32.158 5.899 -3.651 1.00 0.00 H ATOM 258 HA3 GLY A 17 30.479 5.708 -4.160 1.00 0.00 H ATOM 259 N ARG A 18 31.464 8.389 -3.923 1.00 0.00 N ATOM 260 CA ARG A 18 31.263 9.856 -3.738 1.00 0.00 C ATOM 261 C ARG A 18 30.758 10.488 -5.038 1.00 0.00 C ATOM 262 O ARG A 18 31.210 10.071 -6.091 1.00 0.00 O ATOM 263 CB ARG A 18 32.645 10.403 -3.377 1.00 0.00 C ATOM 264 CG ARG A 18 32.502 11.507 -2.324 1.00 0.00 C ATOM 265 CD ARG A 18 33.339 11.155 -1.091 1.00 0.00 C ATOM 266 NE ARG A 18 33.749 12.468 -0.516 1.00 0.00 N ATOM 267 CZ ARG A 18 34.656 13.205 -1.111 1.00 0.00 C ATOM 268 NH1 ARG A 18 35.221 12.805 -2.221 1.00 0.00 N ATOM 269 NH2 ARG A 18 34.999 14.352 -0.590 1.00 0.00 N ATOM 270 OXT ARG A 18 29.927 11.378 -4.957 1.00 0.00 O ATOM 271 H ARG A 18 32.038 8.061 -4.647 1.00 0.00 H ATOM 272 HA ARG A 18 30.570 10.043 -2.933 1.00 0.00 H ATOM 273 HB2 ARG A 18 33.255 9.603 -2.983 1.00 0.00 H ATOM 274 HB3 ARG A 18 33.112 10.810 -4.260 1.00 0.00 H ATOM 275 HG2 ARG A 18 32.847 12.444 -2.737 1.00 0.00 H ATOM 276 HG3 ARG A 18 31.465 11.602 -2.037 1.00 0.00 H ATOM 277 HD2 ARG A 18 32.742 10.599 -0.380 1.00 0.00 H ATOM 278 HD3 ARG A 18 34.210 10.587 -1.377 1.00 0.00 H ATOM 279 HE ARG A 18 33.337 12.784 0.315 1.00 0.00 H ATOM 280 HH11 ARG A 18 34.966 11.929 -2.629 1.00 0.00 H ATOM 281 HH12 ARG A 18 35.911 13.377 -2.664 1.00 0.00 H ATOM 282 HH21 ARG A 18 34.571 14.663 0.259 1.00 0.00 H ATOM 283 HH22 ARG A 18 35.690 14.918 -1.039 1.00 0.00 H TER 284 ARG A 18 ATOM 285 N ARG B 1 17.730 -6.247 5.923 1.00 0.00 N ATOM 286 CA ARG B 1 17.042 -6.342 4.603 1.00 0.00 C ATOM 287 C ARG B 1 17.495 -7.602 3.860 1.00 0.00 C ATOM 288 O ARG B 1 18.371 -8.316 4.308 1.00 0.00 O ATOM 289 CB ARG B 1 17.471 -5.087 3.841 1.00 0.00 C ATOM 290 CG ARG B 1 16.848 -3.853 4.496 1.00 0.00 C ATOM 291 CD ARG B 1 17.858 -3.215 5.453 1.00 0.00 C ATOM 292 NE ARG B 1 17.726 -1.745 5.232 1.00 0.00 N ATOM 293 CZ ARG B 1 18.622 -0.915 5.708 1.00 0.00 C ATOM 294 NH1 ARG B 1 19.652 -1.358 6.383 1.00 0.00 N ATOM 295 NH2 ARG B 1 18.486 0.367 5.506 1.00 0.00 N ATOM 296 H1 ARG B 1 17.645 -7.153 6.425 1.00 0.00 H ATOM 297 H2 ARG B 1 17.290 -5.493 6.489 1.00 0.00 H ATOM 298 H3 ARG B 1 18.736 -6.028 5.775 1.00 0.00 H ATOM 299 HA ARG B 1 15.972 -6.346 4.734 1.00 0.00 H ATOM 300 HB2 ARG B 1 18.548 -5.004 3.863 1.00 0.00 H ATOM 301 HB3 ARG B 1 17.137 -5.156 2.816 1.00 0.00 H ATOM 302 HG2 ARG B 1 16.576 -3.139 3.731 1.00 0.00 H ATOM 303 HG3 ARG B 1 15.966 -4.143 5.047 1.00 0.00 H ATOM 304 HD2 ARG B 1 17.615 -3.467 6.476 1.00 0.00 H ATOM 305 HD3 ARG B 1 18.860 -3.536 5.213 1.00 0.00 H ATOM 306 HE ARG B 1 16.962 -1.396 4.727 1.00 0.00 H ATOM 307 HH11 ARG B 1 19.765 -2.338 6.543 1.00 0.00 H ATOM 308 HH12 ARG B 1 20.328 -0.713 6.741 1.00 0.00 H ATOM 309 HH21 ARG B 1 17.701 0.712 4.990 1.00 0.00 H ATOM 310 HH22 ARG B 1 19.166 1.006 5.867 1.00 0.00 H ATOM 311 N GLY B 2 16.905 -7.877 2.727 1.00 0.00 N ATOM 312 CA GLY B 2 17.300 -9.089 1.953 1.00 0.00 C ATOM 313 C GLY B 2 18.035 -8.665 0.680 1.00 0.00 C ATOM 314 O GLY B 2 17.885 -7.555 0.208 1.00 0.00 O ATOM 315 H GLY B 2 16.202 -7.286 2.385 1.00 0.00 H ATOM 316 HA2 GLY B 2 17.950 -9.706 2.558 1.00 0.00 H ATOM 317 HA3 GLY B 2 16.417 -9.649 1.685 1.00 0.00 H ATOM 318 N GLY B 3 18.829 -9.539 0.123 1.00 0.00 N ATOM 319 CA GLY B 3 19.575 -9.187 -1.119 1.00 0.00 C ATOM 320 C GLY B 3 20.637 -8.135 -0.797 1.00 0.00 C ATOM 321 O GLY B 3 21.250 -8.160 0.253 1.00 0.00 O ATOM 322 H GLY B 3 18.935 -10.428 0.522 1.00 0.00 H ATOM 323 HA2 GLY B 3 20.052 -10.073 -1.515 1.00 0.00 H ATOM 324 HA3 GLY B 3 18.889 -8.789 -1.851 1.00 0.00 H ATOM 325 N GLY B 4 20.859 -7.209 -1.692 1.00 0.00 N ATOM 326 CA GLY B 4 21.882 -6.154 -1.439 1.00 0.00 C ATOM 327 C GLY B 4 21.224 -4.775 -1.520 1.00 0.00 C ATOM 328 O GLY B 4 20.338 -4.546 -2.319 1.00 0.00 O ATOM 329 H GLY B 4 20.353 -7.209 -2.531 1.00 0.00 H ATOM 330 HA2 GLY B 4 22.308 -6.295 -0.456 1.00 0.00 H ATOM 331 HA3 GLY B 4 22.661 -6.221 -2.183 1.00 0.00 H ATOM 332 N LEU B 5 21.653 -3.855 -0.697 1.00 0.00 N ATOM 333 CA LEU B 5 21.054 -2.489 -0.724 1.00 0.00 C ATOM 334 C LEU B 5 22.107 -1.459 -1.145 1.00 0.00 C ATOM 335 O LEU B 5 23.283 -1.618 -0.882 1.00 0.00 O ATOM 336 CB LEU B 5 20.590 -2.229 0.712 1.00 0.00 C ATOM 337 CG LEU B 5 19.067 -2.082 0.740 1.00 0.00 C ATOM 338 CD1 LEU B 5 18.419 -3.466 0.693 1.00 0.00 C ATOM 339 CD2 LEU B 5 18.648 -1.367 2.027 1.00 0.00 C ATOM 340 H LEU B 5 22.369 -4.063 -0.061 1.00 0.00 H ATOM 341 HA LEU B 5 20.211 -2.461 -1.396 1.00 0.00 H ATOM 342 HB2 LEU B 5 20.883 -3.057 1.341 1.00 0.00 H ATOM 343 HB3 LEU B 5 21.043 -1.320 1.079 1.00 0.00 H ATOM 344 HG LEU B 5 18.746 -1.505 -0.116 1.00 0.00 H ATOM 345 HD11 LEU B 5 19.025 -4.127 0.090 1.00 0.00 H ATOM 346 HD12 LEU B 5 17.433 -3.388 0.259 1.00 0.00 H ATOM 347 HD13 LEU B 5 18.342 -3.862 1.695 1.00 0.00 H ATOM 348 HD21 LEU B 5 19.070 -0.374 2.041 1.00 0.00 H ATOM 349 HD22 LEU B 5 19.007 -1.923 2.880 1.00 0.00 H ATOM 350 HD23 LEU B 5 17.570 -1.302 2.067 1.00 0.00 H ATOM 351 N CYS B 6 21.692 -0.406 -1.796 1.00 0.00 N ATOM 352 CA CYS B 6 22.666 0.635 -2.235 1.00 0.00 C ATOM 353 C CYS B 6 21.930 1.937 -2.569 1.00 0.00 C ATOM 354 O CYS B 6 20.963 1.943 -3.305 1.00 0.00 O ATOM 355 CB CYS B 6 23.333 0.047 -3.482 1.00 0.00 C ATOM 356 SG CYS B 6 24.516 1.233 -4.177 1.00 0.00 S ATOM 357 H CYS B 6 20.739 -0.299 -1.996 1.00 0.00 H ATOM 358 HA CYS B 6 23.404 0.805 -1.467 1.00 0.00 H ATOM 359 HB2 CYS B 6 23.853 -0.861 -3.214 1.00 0.00 H ATOM 360 HB3 CYS B 6 22.576 -0.179 -4.219 1.00 0.00 H ATOM 361 N TYR B 7 22.380 3.038 -2.028 1.00 0.00 N ATOM 362 CA TYR B 7 21.707 4.341 -2.308 1.00 0.00 C ATOM 363 C TYR B 7 22.676 5.502 -2.065 1.00 0.00 C ATOM 364 O TYR B 7 23.569 5.417 -1.245 1.00 0.00 O ATOM 365 CB TYR B 7 20.538 4.401 -1.320 1.00 0.00 C ATOM 366 CG TYR B 7 19.244 4.599 -2.072 1.00 0.00 C ATOM 367 CD1 TYR B 7 19.011 5.793 -2.765 1.00 0.00 C ATOM 368 CD2 TYR B 7 18.275 3.587 -2.076 1.00 0.00 C ATOM 369 CE1 TYR B 7 17.810 5.976 -3.461 1.00 0.00 C ATOM 370 CE2 TYR B 7 17.075 3.770 -2.772 1.00 0.00 C ATOM 371 CZ TYR B 7 16.842 4.964 -3.465 1.00 0.00 C ATOM 372 OH TYR B 7 15.658 5.145 -4.150 1.00 0.00 O ATOM 373 H TYR B 7 23.160 3.009 -1.435 1.00 0.00 H ATOM 374 HA TYR B 7 21.337 4.363 -3.321 1.00 0.00 H ATOM 375 HB2 TYR B 7 20.491 3.478 -0.761 1.00 0.00 H ATOM 376 HB3 TYR B 7 20.685 5.226 -0.638 1.00 0.00 H ATOM 377 HD1 TYR B 7 19.758 6.573 -2.762 1.00 0.00 H ATOM 378 HD2 TYR B 7 18.455 2.666 -1.542 1.00 0.00 H ATOM 379 HE1 TYR B 7 17.630 6.897 -3.995 1.00 0.00 H ATOM 380 HE2 TYR B 7 16.328 2.990 -2.775 1.00 0.00 H ATOM 381 HH TYR B 7 15.605 4.472 -4.833 1.00 0.00 H ATOM 382 N CYS B 8 22.502 6.588 -2.771 1.00 0.00 N ATOM 383 CA CYS B 8 23.408 7.761 -2.581 1.00 0.00 C ATOM 384 C CYS B 8 22.653 8.886 -1.866 1.00 0.00 C ATOM 385 O CYS B 8 21.543 9.224 -2.228 1.00 0.00 O ATOM 386 CB CYS B 8 23.807 8.202 -3.995 1.00 0.00 C ATOM 387 SG CYS B 8 24.403 6.784 -4.959 1.00 0.00 S ATOM 388 H CYS B 8 21.772 6.635 -3.424 1.00 0.00 H ATOM 389 HA CYS B 8 24.285 7.476 -2.020 1.00 0.00 H ATOM 390 HB2 CYS B 8 22.949 8.633 -4.489 1.00 0.00 H ATOM 391 HB3 CYS B 8 24.589 8.944 -3.929 1.00 0.00 H ATOM 392 N ARG B 9 23.241 9.466 -0.853 1.00 0.00 N ATOM 393 CA ARG B 9 22.546 10.565 -0.118 1.00 0.00 C ATOM 394 C ARG B 9 23.487 11.760 0.070 1.00 0.00 C ATOM 395 O ARG B 9 24.694 11.616 0.101 1.00 0.00 O ATOM 396 CB ARG B 9 22.166 9.959 1.236 1.00 0.00 C ATOM 397 CG ARG B 9 20.681 10.208 1.512 1.00 0.00 C ATOM 398 CD ARG B 9 20.073 8.978 2.191 1.00 0.00 C ATOM 399 NE ARG B 9 18.597 9.159 2.067 1.00 0.00 N ATOM 400 CZ ARG B 9 17.999 9.008 0.910 1.00 0.00 C ATOM 401 NH1 ARG B 9 18.682 8.693 -0.161 1.00 0.00 N ATOM 402 NH2 ARG B 9 16.707 9.174 0.825 1.00 0.00 N ATOM 403 H ARG B 9 24.135 9.177 -0.574 1.00 0.00 H ATOM 404 HA ARG B 9 21.657 10.867 -0.649 1.00 0.00 H ATOM 405 HB2 ARG B 9 22.357 8.895 1.220 1.00 0.00 H ATOM 406 HB3 ARG B 9 22.756 10.418 2.015 1.00 0.00 H ATOM 407 HG2 ARG B 9 20.574 11.066 2.159 1.00 0.00 H ATOM 408 HG3 ARG B 9 20.167 10.393 0.580 1.00 0.00 H ATOM 409 HD2 ARG B 9 20.388 8.076 1.683 1.00 0.00 H ATOM 410 HD3 ARG B 9 20.355 8.944 3.231 1.00 0.00 H ATOM 411 HE ARG B 9 18.070 9.394 2.859 1.00 0.00 H ATOM 412 HH11 ARG B 9 19.672 8.564 -0.107 1.00 0.00 H ATOM 413 HH12 ARG B 9 18.212 8.581 -1.037 1.00 0.00 H ATOM 414 HH21 ARG B 9 16.179 9.414 1.640 1.00 0.00 H ATOM 415 HH22 ARG B 9 16.245 9.060 -0.054 1.00 0.00 H ATOM 416 N ARG B 10 22.940 12.943 0.196 1.00 0.00 N ATOM 417 CA ARG B 10 23.798 14.154 0.382 1.00 0.00 C ATOM 418 C ARG B 10 24.863 14.213 -0.726 1.00 0.00 C ATOM 419 O ARG B 10 24.551 14.091 -1.895 1.00 0.00 O ATOM 420 CB ARG B 10 24.438 13.981 1.766 1.00 0.00 C ATOM 421 CG ARG B 10 23.347 13.799 2.825 1.00 0.00 C ATOM 422 CD ARG B 10 22.614 15.125 3.043 1.00 0.00 C ATOM 423 NE ARG B 10 21.286 14.743 3.607 1.00 0.00 N ATOM 424 CZ ARG B 10 20.301 15.608 3.643 1.00 0.00 C ATOM 425 NH1 ARG B 10 20.463 16.825 3.189 1.00 0.00 N ATOM 426 NH2 ARG B 10 19.147 15.251 4.137 1.00 0.00 N ATOM 427 H ARG B 10 21.965 13.036 0.167 1.00 0.00 H ATOM 428 HA ARG B 10 23.192 15.047 0.365 1.00 0.00 H ATOM 429 HB2 ARG B 10 25.080 13.112 1.757 1.00 0.00 H ATOM 430 HB3 ARG B 10 25.023 14.858 2.002 1.00 0.00 H ATOM 431 HG2 ARG B 10 22.644 13.049 2.493 1.00 0.00 H ATOM 432 HG3 ARG B 10 23.798 13.483 3.754 1.00 0.00 H ATOM 433 HD2 ARG B 10 23.159 15.743 3.744 1.00 0.00 H ATOM 434 HD3 ARG B 10 22.483 15.642 2.106 1.00 0.00 H ATOM 435 HE ARG B 10 21.148 13.836 3.952 1.00 0.00 H ATOM 436 HH11 ARG B 10 21.343 17.108 2.810 1.00 0.00 H ATOM 437 HH12 ARG B 10 19.703 17.474 3.223 1.00 0.00 H ATOM 438 HH21 ARG B 10 19.018 14.323 4.486 1.00 0.00 H ATOM 439 HH22 ARG B 10 18.392 15.906 4.167 1.00 0.00 H ATOM 440 N ARG B 11 26.113 14.386 -0.378 1.00 0.00 N ATOM 441 CA ARG B 11 27.175 14.437 -1.425 1.00 0.00 C ATOM 442 C ARG B 11 28.041 13.178 -1.341 1.00 0.00 C ATOM 443 O ARG B 11 29.249 13.231 -1.457 1.00 0.00 O ATOM 444 CB ARG B 11 28.000 15.682 -1.095 1.00 0.00 C ATOM 445 CG ARG B 11 27.110 16.923 -1.185 1.00 0.00 C ATOM 446 CD ARG B 11 27.810 18.104 -0.510 1.00 0.00 C ATOM 447 NE ARG B 11 27.919 17.720 0.928 1.00 0.00 N ATOM 448 CZ ARG B 11 28.706 18.384 1.739 1.00 0.00 C ATOM 449 NH1 ARG B 11 29.411 19.398 1.305 1.00 0.00 N ATOM 450 NH2 ARG B 11 28.788 18.031 2.993 1.00 0.00 N ATOM 451 H ARG B 11 26.354 14.474 0.566 1.00 0.00 H ATOM 452 HA ARG B 11 26.736 14.531 -2.405 1.00 0.00 H ATOM 453 HB2 ARG B 11 28.399 15.595 -0.095 1.00 0.00 H ATOM 454 HB3 ARG B 11 28.813 15.772 -1.801 1.00 0.00 H ATOM 455 HG2 ARG B 11 26.925 17.158 -2.223 1.00 0.00 H ATOM 456 HG3 ARG B 11 26.172 16.730 -0.686 1.00 0.00 H ATOM 457 HD2 ARG B 11 28.792 18.252 -0.938 1.00 0.00 H ATOM 458 HD3 ARG B 11 27.216 19.000 -0.608 1.00 0.00 H ATOM 459 HE ARG B 11 27.398 16.963 1.270 1.00 0.00 H ATOM 460 HH11 ARG B 11 29.355 19.676 0.346 1.00 0.00 H ATOM 461 HH12 ARG B 11 30.007 19.897 1.934 1.00 0.00 H ATOM 462 HH21 ARG B 11 28.252 17.258 3.331 1.00 0.00 H ATOM 463 HH22 ARG B 11 29.386 18.535 3.616 1.00 0.00 H ATOM 464 N PHE B 12 27.422 12.046 -1.142 1.00 0.00 N ATOM 465 CA PHE B 12 28.190 10.771 -1.051 1.00 0.00 C ATOM 466 C PHE B 12 27.224 9.581 -1.120 1.00 0.00 C ATOM 467 O PHE B 12 26.113 9.645 -0.631 1.00 0.00 O ATOM 468 CB PHE B 12 28.919 10.844 0.302 1.00 0.00 C ATOM 469 CG PHE B 12 28.221 9.989 1.337 1.00 0.00 C ATOM 470 CD1 PHE B 12 26.996 10.401 1.875 1.00 0.00 C ATOM 471 CD2 PHE B 12 28.800 8.785 1.757 1.00 0.00 C ATOM 472 CE1 PHE B 12 26.350 9.610 2.832 1.00 0.00 C ATOM 473 CE2 PHE B 12 28.154 7.994 2.715 1.00 0.00 C ATOM 474 CZ PHE B 12 26.929 8.407 3.252 1.00 0.00 C ATOM 475 H PHE B 12 26.446 12.033 -1.054 1.00 0.00 H ATOM 476 HA PHE B 12 28.909 10.714 -1.853 1.00 0.00 H ATOM 477 HB2 PHE B 12 29.933 10.493 0.178 1.00 0.00 H ATOM 478 HB3 PHE B 12 28.938 11.869 0.641 1.00 0.00 H ATOM 479 HD1 PHE B 12 26.549 11.329 1.551 1.00 0.00 H ATOM 480 HD2 PHE B 12 29.745 8.467 1.342 1.00 0.00 H ATOM 481 HE1 PHE B 12 25.405 9.928 3.247 1.00 0.00 H ATOM 482 HE2 PHE B 12 28.601 7.066 3.039 1.00 0.00 H ATOM 483 HZ PHE B 12 26.431 7.797 3.991 1.00 0.00 H ATOM 484 N CYS B 13 27.636 8.499 -1.724 1.00 0.00 N ATOM 485 CA CYS B 13 26.736 7.313 -1.822 1.00 0.00 C ATOM 486 C CYS B 13 27.161 6.238 -0.819 1.00 0.00 C ATOM 487 O CYS B 13 28.333 6.038 -0.566 1.00 0.00 O ATOM 488 CB CYS B 13 26.903 6.806 -3.253 1.00 0.00 C ATOM 489 SG CYS B 13 25.522 5.711 -3.663 1.00 0.00 S ATOM 490 H CYS B 13 28.535 8.466 -2.113 1.00 0.00 H ATOM 491 HA CYS B 13 25.710 7.603 -1.652 1.00 0.00 H ATOM 492 HB2 CYS B 13 26.913 7.644 -3.934 1.00 0.00 H ATOM 493 HB3 CYS B 13 27.832 6.261 -3.337 1.00 0.00 H ATOM 494 N VAL B 14 26.214 5.542 -0.251 1.00 0.00 N ATOM 495 CA VAL B 14 26.554 4.473 0.733 1.00 0.00 C ATOM 496 C VAL B 14 25.760 3.202 0.418 1.00 0.00 C ATOM 497 O VAL B 14 24.546 3.215 0.369 1.00 0.00 O ATOM 498 CB VAL B 14 26.156 5.043 2.098 1.00 0.00 C ATOM 499 CG1 VAL B 14 24.648 5.308 2.135 1.00 0.00 C ATOM 500 CG2 VAL B 14 26.521 4.039 3.193 1.00 0.00 C ATOM 501 H VAL B 14 25.277 5.719 -0.475 1.00 0.00 H ATOM 502 HA VAL B 14 27.613 4.269 0.714 1.00 0.00 H ATOM 503 HB VAL B 14 26.686 5.969 2.267 1.00 0.00 H ATOM 504 HG11 VAL B 14 24.415 5.944 2.976 1.00 0.00 H ATOM 505 HG12 VAL B 14 24.120 4.371 2.235 1.00 0.00 H ATOM 506 HG13 VAL B 14 24.344 5.796 1.221 1.00 0.00 H ATOM 507 HG21 VAL B 14 25.942 3.136 3.062 1.00 0.00 H ATOM 508 HG22 VAL B 14 26.306 4.467 4.161 1.00 0.00 H ATOM 509 HG23 VAL B 14 27.573 3.804 3.130 1.00 0.00 H ATOM 510 N CYS B 15 26.437 2.107 0.199 1.00 0.00 N ATOM 511 CA CYS B 15 25.719 0.837 -0.119 1.00 0.00 C ATOM 512 C CYS B 15 26.272 -0.309 0.732 1.00 0.00 C ATOM 513 O CYS B 15 27.454 -0.373 1.010 1.00 0.00 O ATOM 514 CB CYS B 15 25.990 0.586 -1.606 1.00 0.00 C ATOM 515 SG CYS B 15 25.461 2.023 -2.575 1.00 0.00 S ATOM 516 H CYS B 15 27.416 2.119 0.239 1.00 0.00 H ATOM 517 HA CYS B 15 24.660 0.953 0.048 1.00 0.00 H ATOM 518 HB2 CYS B 15 27.047 0.421 -1.755 1.00 0.00 H ATOM 519 HB3 CYS B 15 25.442 -0.287 -1.928 1.00 0.00 H ATOM 520 N VAL B 16 25.425 -1.213 1.148 1.00 0.00 N ATOM 521 CA VAL B 16 25.900 -2.355 1.983 1.00 0.00 C ATOM 522 C VAL B 16 25.283 -3.667 1.490 1.00 0.00 C ATOM 523 O VAL B 16 24.175 -3.693 0.989 1.00 0.00 O ATOM 524 CB VAL B 16 25.423 -2.035 3.403 1.00 0.00 C ATOM 525 CG1 VAL B 16 26.075 -0.736 3.879 1.00 0.00 C ATOM 526 CG2 VAL B 16 23.900 -1.871 3.410 1.00 0.00 C ATOM 527 H VAL B 16 24.477 -1.139 0.913 1.00 0.00 H ATOM 528 HA VAL B 16 26.976 -2.414 1.962 1.00 0.00 H ATOM 529 HB VAL B 16 25.704 -2.842 4.065 1.00 0.00 H ATOM 530 HG11 VAL B 16 25.650 0.098 3.341 1.00 0.00 H ATOM 531 HG12 VAL B 16 27.138 -0.779 3.697 1.00 0.00 H ATOM 532 HG13 VAL B 16 25.896 -0.610 4.937 1.00 0.00 H ATOM 533 HG21 VAL B 16 23.635 -0.952 2.910 1.00 0.00 H ATOM 534 HG22 VAL B 16 23.546 -1.842 4.430 1.00 0.00 H ATOM 535 HG23 VAL B 16 23.446 -2.705 2.896 1.00 0.00 H ATOM 536 N GLY B 17 25.993 -4.755 1.629 1.00 0.00 N ATOM 537 CA GLY B 17 25.452 -6.066 1.171 1.00 0.00 C ATOM 538 C GLY B 17 25.612 -7.102 2.285 1.00 0.00 C ATOM 539 O GLY B 17 26.521 -7.026 3.088 1.00 0.00 O ATOM 540 H GLY B 17 26.883 -4.709 2.036 1.00 0.00 H ATOM 541 HA2 GLY B 17 24.405 -5.957 0.925 1.00 0.00 H ATOM 542 HA3 GLY B 17 25.995 -6.395 0.298 1.00 0.00 H ATOM 543 N ARG B 18 24.735 -8.068 2.339 1.00 0.00 N ATOM 544 CA ARG B 18 24.834 -9.110 3.402 1.00 0.00 C ATOM 545 C ARG B 18 24.428 -10.477 2.843 1.00 0.00 C ATOM 546 O ARG B 18 23.238 -10.727 2.749 1.00 0.00 O ATOM 547 CB ARG B 18 23.855 -8.662 4.488 1.00 0.00 C ATOM 548 CG ARG B 18 24.225 -9.325 5.817 1.00 0.00 C ATOM 549 CD ARG B 18 23.179 -8.969 6.877 1.00 0.00 C ATOM 550 NE ARG B 18 23.967 -8.564 8.077 1.00 0.00 N ATOM 551 CZ ARG B 18 24.592 -9.461 8.802 1.00 0.00 C ATOM 552 NH1 ARG B 18 24.539 -10.730 8.489 1.00 0.00 N ATOM 553 NH2 ARG B 18 25.274 -9.082 9.848 1.00 0.00 N ATOM 554 OXT ARG B 18 25.315 -11.249 2.518 1.00 0.00 O ATOM 555 H ARG B 18 24.010 -8.109 1.681 1.00 0.00 H ATOM 556 HA ARG B 18 25.835 -9.148 3.801 1.00 0.00 H ATOM 557 HB2 ARG B 18 23.904 -7.588 4.595 1.00 0.00 H ATOM 558 HB3 ARG B 18 22.853 -8.952 4.211 1.00 0.00 H ATOM 559 HG2 ARG B 18 24.257 -10.397 5.687 1.00 0.00 H ATOM 560 HG3 ARG B 18 25.194 -8.972 6.137 1.00 0.00 H ATOM 561 HD2 ARG B 18 22.562 -8.149 6.535 1.00 0.00 H ATOM 562 HD3 ARG B 18 22.569 -9.829 7.108 1.00 0.00 H ATOM 563 HE ARG B 18 24.018 -7.617 8.326 1.00 0.00 H ATOM 564 HH11 ARG B 18 24.020 -11.030 7.689 1.00 0.00 H ATOM 565 HH12 ARG B 18 25.020 -11.403 9.051 1.00 0.00 H ATOM 566 HH21 ARG B 18 25.319 -8.114 10.092 1.00 0.00 H ATOM 567 HH22 ARG B 18 25.753 -9.761 10.405 1.00 0.00 H TER 568 ARG B 18 CONECT 72 231 CONECT 103 205 CONECT 205 103 CONECT 231 72 CONECT 356 515 CONECT 387 489 CONECT 489 387 CONECT 515 356 MASTER 99 0 0 0 4 0 0 6 282 2 8 4 END