USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 282 hydrogens (0 hets) HEADER UNKNOWN FUNCTION 16-DEC-07 2JYP TITLE COORDINATES FOR LOWEST ENERGY STRUCTURE OF ARAGONITE TITLE 2 PROTEIN-7, C-TERMINAL DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ARAGONITE PROTEIN AP7; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS PROTEIN C-TERMINAL FRAGMENT, UNKNOWN FUNCTION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.COLLINO,I.KIM,J.EVANS REVDAT 3 24-FEB-09 2JYP 1 VERSN REVDAT 2 01-APR-08 2JYP 1 JRNL REVDAT 1 12-FEB-08 2JYP 0 JRNL AUTH S.COLLINO,I.W.KIM,J.S.EVANS JRNL TITL IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF JRNL TITL 2 AN UNUSUAL RING-LIKE SEQUENCE WITHIN AN JRNL TITL 3 EXTRACELLULAR BIOMINERALIZATION PROTEIN, AP7. JRNL REF BIOCHEMISTRY V. 47 3745 2008 JRNL REFN ISSN 0006-2960 JRNL PMID 18298090 JRNL DOI 10.1021/BI701949P REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JYP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-DEC-07. REMARK 100 THE RCSB ID CODE IS RCSB100456. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 450 UM AP7C, 50 UM DTT, 90% REMARK 210 H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY, 2D 1H-1H TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE REMARK 210 METHOD USED : SIMULATED ANNEALING, REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ARG A 26 N ILE A 28 2.08 REMARK 500 O ASP A 29 N SER A 33 2.12 REMARK 500 O LEU A 14 NE ARG A 24 2.14 REMARK 500 O ARG A 7 N HIS A 10 2.15 REMARK 500 O CYS A 12 N TYR A 16 2.17 REMARK 500 O ASP A 29 N CYS A 32 2.18 REMARK 500 O ASP A 29 N TYR A 31 2.18 REMARK 500 REMARK 500 REMARK: NULL 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 2 -7.66 -165.40 REMARK 500 SER A 4 27.21 161.47 REMARK 500 ARG A 6 10.92 -61.94 REMARK 500 ARG A 7 -65.72 -139.17 REMARK 500 PRO A 8 -38.30 -27.73 REMARK 500 GLU A 11 25.15 38.71 REMARK 500 ALA A 13 -68.92 -104.28 REMARK 500 LEU A 14 -0.91 -54.49 REMARK 500 CYS A 15 -61.36 -124.51 REMARK 500 SER A 17 -19.88 170.05 REMARK 500 GLU A 23 -161.63 -78.39 REMARK 500 ARG A 24 -18.66 68.86 REMARK 500 ARG A 26 98.43 67.21 REMARK 500 CYS A 27 74.09 -29.54 REMARK 500 ASP A 29 10.28 81.91 REMARK 500 MET A 30 48.77 -50.07 REMARK 500 TYR A 31 -12.66 -168.71 REMARK 500 THR A 35 -151.19 -45.95 REMARK 500 REMARK 500 REMARK: NULL DBREF 2JYP A 1 36 UNP Q9BP37 Q9BP37_HALRU 53 88 SEQRES 1 A 36 THR ARG HIS SER PHE ARG ARG PRO PHE HIS GLU CYS ALA SEQRES 2 A 36 LEU CYS TYR SER ILE THR ASP PRO GLY GLU ARG GLN ARG SEQRES 3 A 36 CYS ILE ASP MET TYR CYS SER TYR THR ASN HELIX 1 1 ARG A 26 MET A 30 5 5 SSBOND *** CYS A 15 CYS A 27 1555 1555 2.86 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot -78:sc= -5.31! USER MOD Set 1.2: A 19 THR OG1 : rot -136:sc= -11.8! USER MOD Set 1.3: A 27 CYS SG : rot 155:sc= -9.11! USER MOD Set 1.4: A 31 TYR OH : rot 147:sc= -3.03 USER MOD Set 2.1: A 1 THR N :NH3+ 174:sc= -3.6! (180deg=-0.459) USER MOD Set 2.2: A 3 HIS : no HE2:sc= -6.59! C(o=-10!,f=-24!) USER MOD Single : A 1 THR OG1 : rot 165:sc= -7.05! USER MOD Single : A 4 SER OG : rot 59:sc= 0.199! USER MOD Single : A 10 HIS : no HE2:sc= -7.77! C(o=-7.8!,f=-7.9!) USER MOD Single : A 12 CYS SG : rot -109:sc= -11.4! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 70:sc= 0.052 USER MOD Single : A 25 GLN : amide:sc= -18.2! C(o=-18!,f=-5.3!) USER MOD Single : A 30 MET CE :methyl -175:sc= -0.541 (180deg=-0.57) USER MOD Single : A 32 CYS SG : rot 139:sc= -2.31! USER MOD Single : A 33 SER OG : rot -150:sc=-0.00451 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.368! USER MOD Single : A 36 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 26.273 30.442 -14.983 1.00 0.00 N ATOM 2 CA THR A 1 26.673 31.122 -16.251 1.00 0.00 C ATOM 3 C THR A 1 27.266 30.077 -17.162 1.00 0.00 C ATOM 4 O THR A 1 28.394 30.177 -17.630 1.00 0.00 O ATOM 5 CB THR A 1 27.668 32.283 -16.030 1.00 0.00 C ATOM 6 OG1 THR A 1 28.933 31.958 -16.601 1.00 0.00 O ATOM 7 CG2 THR A 1 27.848 32.599 -14.539 1.00 0.00 C ATOM 0 H1 THR A 1 25.954 31.152 -14.294 1.00 0.00 H new ATOM 0 H2 THR A 1 25.499 29.775 -15.176 1.00 0.00 H new ATOM 0 H3 THR A 1 27.087 29.925 -14.595 1.00 0.00 H new ATOM 0 HA THR A 1 25.789 31.578 -16.697 1.00 0.00 H new ATOM 0 HB THR A 1 27.256 33.166 -16.518 1.00 0.00 H new ATOM 0 HG1 THR A 1 29.477 32.770 -16.674 1.00 0.00 H new ATOM 0 HG21 THR A 1 28.555 33.421 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 1 26.888 32.884 -14.109 1.00 0.00 H new ATOM 0 HG23 THR A 1 28.229 31.717 -14.024 1.00 0.00 H new ATOM 17 N ARG A 2 26.441 29.104 -17.453 1.00 0.00 N ATOM 18 CA ARG A 2 26.803 28.018 -18.343 1.00 0.00 C ATOM 19 C ARG A 2 25.515 27.326 -18.709 1.00 0.00 C ATOM 20 O ARG A 2 25.458 26.439 -19.565 1.00 0.00 O ATOM 21 CB ARG A 2 27.766 27.024 -17.665 1.00 0.00 C ATOM 22 CG ARG A 2 28.280 27.550 -16.305 1.00 0.00 C ATOM 23 CD ARG A 2 29.539 28.410 -16.517 1.00 0.00 C ATOM 24 NE ARG A 2 29.440 29.701 -15.823 1.00 0.00 N ATOM 25 CZ ARG A 2 30.519 30.280 -15.297 1.00 0.00 C ATOM 26 NH1 ARG A 2 31.631 29.612 -15.206 1.00 0.00 N ATOM 27 NH2 ARG A 2 30.460 31.508 -14.850 1.00 0.00 N ATOM 0 H ARG A 2 25.494 29.038 -17.080 1.00 0.00 H new ATOM 0 HA ARG A 2 27.322 28.403 -19.221 1.00 0.00 H new ATOM 0 HB2 ARG A 2 27.258 26.071 -17.516 1.00 0.00 H new ATOM 0 HB3 ARG A 2 28.613 26.834 -18.324 1.00 0.00 H new ATOM 0 HG2 ARG A 2 27.504 28.140 -15.817 1.00 0.00 H new ATOM 0 HG3 ARG A 2 28.508 26.713 -15.644 1.00 0.00 H new ATOM 0 HD2 ARG A 2 30.414 27.869 -16.156 1.00 0.00 H new ATOM 0 HD3 ARG A 2 29.687 28.581 -17.583 1.00 0.00 H new ATOM 0 HE ARG A 2 28.533 30.161 -15.743 1.00 0.00 H new ATOM 0 HH11 ARG A 2 31.675 28.648 -15.537 1.00 0.00 H new ATOM 0 HH12 ARG A 2 32.459 30.052 -14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 2 29.584 32.028 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 2 31.290 31.945 -14.449 1.00 0.00 H new ATOM 41 N HIS A 3 24.485 27.775 -18.018 1.00 0.00 N ATOM 42 CA HIS A 3 23.143 27.272 -18.185 1.00 0.00 C ATOM 43 C HIS A 3 22.297 28.279 -18.926 1.00 0.00 C ATOM 44 O HIS A 3 21.447 27.906 -19.731 1.00 0.00 O ATOM 45 CB HIS A 3 22.521 27.064 -16.818 1.00 0.00 C ATOM 46 CG HIS A 3 23.130 28.050 -15.854 1.00 0.00 C ATOM 47 ND1 HIS A 3 22.514 29.252 -15.512 1.00 0.00 N ATOM 48 CD2 HIS A 3 24.281 27.997 -15.109 1.00 0.00 C ATOM 49 CE1 HIS A 3 23.284 29.844 -14.576 1.00 0.00 C ATOM 50 NE2 HIS A 3 24.373 29.126 -14.303 1.00 0.00 N ATOM 0 H HIS A 3 24.562 28.510 -17.315 1.00 0.00 H new ATOM 0 HA HIS A 3 23.186 26.338 -18.745 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.441 27.204 -16.869 1.00 0.00 H new ATOM 0 HB3 HIS A 3 22.695 26.044 -16.475 1.00 0.00 H new ATOM 0 HD1 HIS A 3 21.643 29.616 -15.898 1.00 0.00 H new ATOM 0 HD2 HIS A 3 25.007 27.198 -15.144 1.00 0.00 H new ATOM 0 HE1 HIS A 3 23.047 30.786 -14.105 1.00 0.00 H new ATOM 59 N SER A 4 22.519 29.566 -18.647 1.00 0.00 N ATOM 60 CA SER A 4 21.733 30.586 -19.309 1.00 0.00 C ATOM 61 C SER A 4 21.775 31.873 -18.612 1.00 0.00 C ATOM 62 O SER A 4 20.870 32.665 -18.749 1.00 0.00 O ATOM 63 CB SER A 4 20.274 30.173 -19.424 1.00 0.00 C ATOM 64 OG SER A 4 20.077 29.349 -20.568 1.00 0.00 O ATOM 0 H SER A 4 23.216 29.910 -17.987 1.00 0.00 H new ATOM 0 HA SER A 4 22.180 30.698 -20.297 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.970 29.636 -18.525 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.644 31.059 -19.494 1.00 0.00 H new ATOM 0 HG SER A 4 20.642 28.551 -20.498 1.00 0.00 H new ATOM 70 N PHE A 5 22.821 32.111 -17.915 1.00 0.00 N ATOM 71 CA PHE A 5 22.958 33.368 -17.289 1.00 0.00 C ATOM 72 C PHE A 5 24.217 33.928 -17.811 1.00 0.00 C ATOM 73 O PHE A 5 24.349 35.123 -18.032 1.00 0.00 O ATOM 74 CB PHE A 5 22.861 33.172 -15.819 1.00 0.00 C ATOM 75 CG PHE A 5 21.393 33.236 -15.500 1.00 0.00 C ATOM 76 CD1 PHE A 5 20.825 34.470 -15.233 1.00 0.00 C ATOM 77 CD2 PHE A 5 20.607 32.075 -15.507 1.00 0.00 C ATOM 78 CE1 PHE A 5 19.456 34.575 -14.953 1.00 0.00 C ATOM 79 CE2 PHE A 5 19.229 32.169 -15.224 1.00 0.00 C ATOM 80 CZ PHE A 5 18.655 33.422 -14.944 1.00 0.00 C ATOM 0 H PHE A 5 23.589 31.457 -17.764 1.00 0.00 H new ATOM 0 HA PHE A 5 22.175 34.095 -17.505 1.00 0.00 H new ATOM 0 HB2 PHE A 5 23.285 32.213 -15.522 1.00 0.00 H new ATOM 0 HB3 PHE A 5 23.413 33.944 -15.283 1.00 0.00 H new ATOM 0 HD1 PHE A 5 21.441 35.357 -15.241 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.053 31.117 -15.727 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.018 35.540 -14.745 1.00 0.00 H new ATOM 0 HE2 PHE A 5 18.615 31.280 -15.222 1.00 0.00 H new ATOM 0 HZ PHE A 5 17.601 33.497 -14.723 1.00 0.00 H new ATOM 90 N ARG A 6 25.061 33.018 -18.212 1.00 0.00 N ATOM 91 CA ARG A 6 26.220 33.418 -18.926 1.00 0.00 C ATOM 92 C ARG A 6 25.760 34.096 -20.221 1.00 0.00 C ATOM 93 O ARG A 6 26.584 34.279 -21.098 1.00 0.00 O ATOM 94 CB ARG A 6 27.054 32.235 -19.339 1.00 0.00 C ATOM 95 CG ARG A 6 26.152 31.082 -19.797 1.00 0.00 C ATOM 96 CD ARG A 6 24.776 31.570 -20.245 1.00 0.00 C ATOM 97 NE ARG A 6 24.865 32.120 -21.560 1.00 0.00 N ATOM 98 CZ ARG A 6 25.135 31.319 -22.592 1.00 0.00 C ATOM 99 NH1 ARG A 6 25.338 30.040 -22.403 1.00 0.00 N ATOM 100 NH2 ARG A 6 25.203 31.783 -23.791 1.00 0.00 N ATOM 0 H ARG A 6 24.963 32.015 -18.056 1.00 0.00 H new ATOM 0 HA ARG A 6 26.808 34.072 -18.282 1.00 0.00 H new ATOM 0 HB2 ARG A 6 27.728 32.521 -20.146 1.00 0.00 H new ATOM 0 HB3 ARG A 6 27.675 31.910 -18.504 1.00 0.00 H new ATOM 0 HG2 ARG A 6 26.633 30.551 -20.619 1.00 0.00 H new ATOM 0 HG3 ARG A 6 26.035 30.368 -18.981 1.00 0.00 H new ATOM 0 HD2 ARG A 6 24.065 30.744 -20.233 1.00 0.00 H new ATOM 0 HD3 ARG A 6 24.402 32.322 -19.550 1.00 0.00 H new ATOM 0 HE ARG A 6 24.723 33.119 -21.709 1.00 0.00 H new ATOM 0 HH11 ARG A 6 25.290 29.650 -21.462 1.00 0.00 H new ATOM 0 HH12 ARG A 6 25.544 29.434 -23.197 1.00 0.00 H new ATOM 0 HH21 ARG A 6 25.049 32.777 -23.963 1.00 0.00 H new ATOM 0 HH22 ARG A 6 25.410 31.157 -24.569 1.00 0.00 H new ATOM 114 N ARG A 7 24.424 34.405 -20.360 1.00 0.00 N ATOM 115 CA ARG A 7 23.882 35.048 -21.594 1.00 0.00 C ATOM 116 C ARG A 7 22.840 36.134 -21.316 1.00 0.00 C ATOM 117 O ARG A 7 23.068 37.288 -21.659 1.00 0.00 O ATOM 118 CB ARG A 7 23.308 34.032 -22.572 1.00 0.00 C ATOM 119 CG ARG A 7 22.301 34.715 -23.553 1.00 0.00 C ATOM 120 CD ARG A 7 21.003 33.902 -23.678 1.00 0.00 C ATOM 121 NE ARG A 7 20.650 33.764 -25.085 1.00 0.00 N ATOM 122 CZ ARG A 7 19.550 33.126 -25.459 1.00 0.00 C ATOM 123 NH1 ARG A 7 18.762 32.602 -24.559 1.00 0.00 N ATOM 124 NH2 ARG A 7 19.260 33.020 -26.734 1.00 0.00 N ATOM 0 H ARG A 7 23.723 34.220 -19.643 1.00 0.00 H new ATOM 0 HA ARG A 7 24.747 35.531 -22.049 1.00 0.00 H new ATOM 0 HB2 ARG A 7 24.116 33.568 -23.138 1.00 0.00 H new ATOM 0 HB3 ARG A 7 22.805 33.236 -22.023 1.00 0.00 H new ATOM 0 HG2 ARG A 7 22.070 35.720 -23.199 1.00 0.00 H new ATOM 0 HG3 ARG A 7 22.762 34.821 -24.535 1.00 0.00 H new ATOM 0 HD2 ARG A 7 21.132 32.918 -23.226 1.00 0.00 H new ATOM 0 HD3 ARG A 7 20.197 34.398 -23.137 1.00 0.00 H new ATOM 0 HE ARG A 7 21.261 34.166 -25.796 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.993 32.684 -23.569 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.915 32.111 -24.846 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.880 33.428 -27.434 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.414 32.530 -27.026 1.00 0.00 H new ATOM 138 N PRO A 8 21.689 35.815 -20.779 1.00 0.00 N ATOM 139 CA PRO A 8 20.637 36.829 -20.548 1.00 0.00 C ATOM 140 C PRO A 8 21.290 38.171 -20.355 1.00 0.00 C ATOM 141 O PRO A 8 20.841 39.191 -20.879 1.00 0.00 O ATOM 142 CB PRO A 8 19.940 36.318 -19.307 1.00 0.00 C ATOM 143 CG PRO A 8 20.047 34.836 -19.405 1.00 0.00 C ATOM 144 CD PRO A 8 21.265 34.510 -20.313 1.00 0.00 C ATOM 0 HA PRO A 8 19.930 36.965 -21.367 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.417 36.692 -18.401 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.899 36.640 -19.275 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.178 34.396 -18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.134 34.413 -19.824 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.056 34.004 -19.760 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.987 33.858 -21.141 1.00 0.00 H new ATOM 152 N PHE A 9 22.418 38.132 -19.664 1.00 0.00 N ATOM 153 CA PHE A 9 23.208 39.337 -19.490 1.00 0.00 C ATOM 154 C PHE A 9 24.307 39.333 -20.512 1.00 0.00 C ATOM 155 O PHE A 9 24.751 40.368 -21.006 1.00 0.00 O ATOM 156 CB PHE A 9 23.894 39.374 -18.132 1.00 0.00 C ATOM 157 CG PHE A 9 25.097 38.442 -18.100 1.00 0.00 C ATOM 158 CD1 PHE A 9 26.268 38.770 -18.808 1.00 0.00 C ATOM 159 CD2 PHE A 9 25.069 37.279 -17.320 1.00 0.00 C ATOM 160 CE1 PHE A 9 27.391 37.945 -18.729 1.00 0.00 C ATOM 161 CE2 PHE A 9 26.196 36.450 -17.255 1.00 0.00 C ATOM 162 CZ PHE A 9 27.359 36.790 -17.956 1.00 0.00 C ATOM 0 H PHE A 9 22.801 37.296 -19.223 1.00 0.00 H new ATOM 0 HA PHE A 9 22.535 40.189 -19.586 1.00 0.00 H new ATOM 0 HB2 PHE A 9 24.213 40.392 -17.910 1.00 0.00 H new ATOM 0 HB3 PHE A 9 23.186 39.085 -17.355 1.00 0.00 H new ATOM 0 HD1 PHE A 9 26.298 39.663 -19.415 1.00 0.00 H new ATOM 0 HD2 PHE A 9 24.177 37.021 -16.768 1.00 0.00 H new ATOM 0 HE1 PHE A 9 28.288 38.205 -19.271 1.00 0.00 H new ATOM 0 HE2 PHE A 9 26.168 35.547 -16.663 1.00 0.00 H new ATOM 0 HZ PHE A 9 28.231 36.155 -17.896 1.00 0.00 H new ATOM 172 N HIS A 10 24.804 38.134 -20.723 1.00 0.00 N ATOM 173 CA HIS A 10 25.931 37.906 -21.580 1.00 0.00 C ATOM 174 C HIS A 10 25.615 37.815 -23.066 1.00 0.00 C ATOM 175 O HIS A 10 26.534 37.847 -23.882 1.00 0.00 O ATOM 176 CB HIS A 10 26.574 36.617 -21.142 1.00 0.00 C ATOM 177 CG HIS A 10 28.068 36.667 -21.177 1.00 0.00 C ATOM 178 ND1 HIS A 10 28.751 37.532 -22.000 1.00 0.00 N ATOM 179 CD2 HIS A 10 29.016 35.891 -20.558 1.00 0.00 C ATOM 180 CE1 HIS A 10 30.067 37.274 -21.860 1.00 0.00 C ATOM 181 NE2 HIS A 10 30.285 36.277 -20.993 1.00 0.00 N ATOM 0 H HIS A 10 24.429 37.286 -20.297 1.00 0.00 H new ATOM 0 HA HIS A 10 26.581 38.775 -21.479 1.00 0.00 H new ATOM 0 HB2 HIS A 10 26.248 36.381 -20.129 1.00 0.00 H new ATOM 0 HB3 HIS A 10 26.228 35.808 -21.785 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.337 38.240 -22.606 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.812 35.105 -19.846 1.00 0.00 H new ATOM 0 HE1 HIS A 10 30.849 37.806 -22.382 1.00 0.00 H new ATOM 190 N GLU A 11 24.354 37.645 -23.431 1.00 0.00 N ATOM 191 CA GLU A 11 24.034 37.491 -24.844 1.00 0.00 C ATOM 192 C GLU A 11 25.114 36.652 -25.478 1.00 0.00 C ATOM 193 O GLU A 11 25.371 36.695 -26.683 1.00 0.00 O ATOM 194 CB GLU A 11 23.926 38.837 -25.540 1.00 0.00 C ATOM 195 CG GLU A 11 25.191 39.665 -25.309 1.00 0.00 C ATOM 196 CD GLU A 11 25.161 40.916 -26.186 1.00 0.00 C ATOM 197 OE1 GLU A 11 25.405 40.791 -27.375 1.00 0.00 O ATOM 198 OE2 GLU A 11 24.897 41.985 -25.655 1.00 0.00 O ATOM 0 H GLU A 11 23.558 37.611 -22.794 1.00 0.00 H new ATOM 0 HA GLU A 11 23.065 37.003 -24.946 1.00 0.00 H new ATOM 0 HB2 GLU A 11 23.772 38.689 -26.609 1.00 0.00 H new ATOM 0 HB3 GLU A 11 23.057 39.378 -25.165 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.264 39.948 -24.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.074 39.069 -25.541 1.00 0.00 H new ATOM 205 N CYS A 12 25.711 35.873 -24.614 1.00 0.00 N ATOM 206 CA CYS A 12 26.753 34.960 -24.970 1.00 0.00 C ATOM 207 C CYS A 12 26.115 33.646 -25.346 1.00 0.00 C ATOM 208 O CYS A 12 26.776 32.620 -25.393 1.00 0.00 O ATOM 209 CB CYS A 12 27.736 34.788 -23.814 1.00 0.00 C ATOM 210 SG CYS A 12 27.553 33.152 -23.050 1.00 0.00 S ATOM 0 H CYS A 12 25.477 35.859 -23.621 1.00 0.00 H new ATOM 0 HA CYS A 12 27.321 35.346 -25.816 1.00 0.00 H new ATOM 0 HB2 CYS A 12 28.756 34.913 -24.177 1.00 0.00 H new ATOM 0 HB3 CYS A 12 27.566 35.564 -23.068 1.00 0.00 H new ATOM 0 HG CYS A 12 27.021 33.281 -21.871 1.00 0.00 H new ATOM 216 N ALA A 13 24.820 33.668 -25.650 1.00 0.00 N ATOM 217 CA ALA A 13 24.196 32.422 -26.076 1.00 0.00 C ATOM 218 C ALA A 13 23.986 32.441 -27.546 1.00 0.00 C ATOM 219 O ALA A 13 24.702 31.759 -28.277 1.00 0.00 O ATOM 220 CB ALA A 13 22.909 32.062 -25.358 1.00 0.00 C ATOM 0 H ALA A 13 24.212 34.486 -25.613 1.00 0.00 H new ATOM 0 HA ALA A 13 24.897 31.635 -25.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.526 31.119 -25.748 1.00 0.00 H new ATOM 0 HB2 ALA A 13 23.104 31.960 -24.290 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.171 32.848 -25.519 1.00 0.00 H new ATOM 226 N LEU A 14 23.085 33.276 -28.018 1.00 0.00 N ATOM 227 CA LEU A 14 22.960 33.375 -29.425 1.00 0.00 C ATOM 228 C LEU A 14 24.360 33.697 -29.917 1.00 0.00 C ATOM 229 O LEU A 14 24.600 33.809 -31.111 1.00 0.00 O ATOM 230 CB LEU A 14 21.955 34.463 -29.850 1.00 0.00 C ATOM 231 CG LEU A 14 21.979 35.651 -28.869 1.00 0.00 C ATOM 232 CD1 LEU A 14 22.419 36.923 -29.601 1.00 0.00 C ATOM 233 CD2 LEU A 14 20.577 35.883 -28.298 1.00 0.00 C ATOM 0 H LEU A 14 22.462 33.864 -27.465 1.00 0.00 H new ATOM 0 HA LEU A 14 22.570 32.452 -29.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.194 34.812 -30.855 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.951 34.040 -29.890 1.00 0.00 H new ATOM 0 HG LEU A 14 22.678 35.422 -28.064 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.434 37.759 -28.901 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.417 36.778 -30.014 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.720 37.138 -30.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.601 36.724 -27.605 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.885 36.102 -29.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.246 34.988 -27.771 1.00 0.00 H new ATOM 245 N CYS A 15 25.297 33.818 -28.947 1.00 0.00 N ATOM 246 CA CYS A 15 26.673 34.108 -29.260 1.00 0.00 C ATOM 247 C CYS A 15 27.618 33.062 -28.674 1.00 0.00 C ATOM 248 O CYS A 15 28.280 32.360 -29.435 1.00 0.00 O ATOM 249 CB CYS A 15 27.032 35.504 -28.785 1.00 0.00 C ATOM 250 SG CYS A 15 25.912 36.711 -29.527 1.00 0.00 S ATOM 0 H CYS A 15 25.103 33.716 -27.951 1.00 0.00 H new ATOM 0 HA CYS A 15 26.791 34.068 -30.343 1.00 0.00 H new ATOM 0 HB2 CYS A 15 26.968 35.556 -27.698 1.00 0.00 H new ATOM 0 HB3 CYS A 15 28.062 35.736 -29.055 1.00 0.00 H new ATOM 0 HG CYS A 15 26.273 36.941 -30.754 1.00 0.00 H new ATOM 256 N TYR A 16 27.670 32.887 -27.348 1.00 0.00 N ATOM 257 CA TYR A 16 28.555 31.832 -26.844 1.00 0.00 C ATOM 258 C TYR A 16 27.763 30.540 -26.842 1.00 0.00 C ATOM 259 O TYR A 16 27.186 30.118 -25.840 1.00 0.00 O ATOM 260 CB TYR A 16 29.144 32.122 -25.462 1.00 0.00 C ATOM 261 CG TYR A 16 30.663 32.077 -25.518 1.00 0.00 C ATOM 262 CD1 TYR A 16 31.350 32.791 -26.505 1.00 0.00 C ATOM 263 CD2 TYR A 16 31.379 31.324 -24.575 1.00 0.00 C ATOM 264 CE1 TYR A 16 32.753 32.752 -26.555 1.00 0.00 C ATOM 265 CE2 TYR A 16 32.782 31.284 -24.621 1.00 0.00 C ATOM 266 CZ TYR A 16 33.471 31.998 -25.612 1.00 0.00 C ATOM 267 OH TYR A 16 34.853 31.959 -25.654 1.00 0.00 O ATOM 0 H TYR A 16 27.151 33.419 -26.649 1.00 0.00 H new ATOM 0 HA TYR A 16 29.423 31.766 -27.501 1.00 0.00 H new ATOM 0 HB2 TYR A 16 28.815 33.102 -25.117 1.00 0.00 H new ATOM 0 HB3 TYR A 16 28.778 31.390 -24.742 1.00 0.00 H new ATOM 0 HD1 TYR A 16 30.801 33.373 -27.230 1.00 0.00 H new ATOM 0 HD2 TYR A 16 30.849 30.774 -23.811 1.00 0.00 H new ATOM 0 HE1 TYR A 16 33.281 33.303 -27.320 1.00 0.00 H new ATOM 0 HE2 TYR A 16 33.330 30.704 -23.894 1.00 0.00 H new ATOM 0 HH TYR A 16 35.186 31.391 -24.928 1.00 0.00 H new ATOM 277 N SER A 17 27.754 29.947 -28.014 1.00 0.00 N ATOM 278 CA SER A 17 27.061 28.706 -28.289 1.00 0.00 C ATOM 279 C SER A 17 27.083 28.485 -29.794 1.00 0.00 C ATOM 280 O SER A 17 26.889 27.374 -30.281 1.00 0.00 O ATOM 281 CB SER A 17 25.619 28.791 -27.814 1.00 0.00 C ATOM 282 OG SER A 17 25.428 27.897 -26.726 1.00 0.00 O ATOM 0 H SER A 17 28.242 30.324 -28.826 1.00 0.00 H new ATOM 0 HA SER A 17 27.549 27.883 -27.767 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.385 29.810 -27.507 1.00 0.00 H new ATOM 0 HB3 SER A 17 24.940 28.540 -28.629 1.00 0.00 H new ATOM 0 HG SER A 17 25.908 28.231 -25.940 1.00 0.00 H new ATOM 288 N ILE A 18 27.313 29.574 -30.525 1.00 0.00 N ATOM 289 CA ILE A 18 27.353 29.532 -31.954 1.00 0.00 C ATOM 290 C ILE A 18 28.530 30.356 -32.433 1.00 0.00 C ATOM 291 O ILE A 18 29.085 30.118 -33.492 1.00 0.00 O ATOM 292 CB ILE A 18 25.983 29.982 -32.472 1.00 0.00 C ATOM 293 CG1 ILE A 18 25.830 31.501 -32.366 1.00 0.00 C ATOM 294 CG2 ILE A 18 24.928 29.339 -31.568 1.00 0.00 C ATOM 295 CD1 ILE A 18 25.363 32.078 -33.710 1.00 0.00 C ATOM 0 H ILE A 18 27.474 30.500 -30.128 1.00 0.00 H new ATOM 0 HA ILE A 18 27.520 28.531 -32.352 1.00 0.00 H new ATOM 0 HB ILE A 18 25.873 29.690 -33.516 1.00 0.00 H new ATOM 0 HG12 ILE A 18 25.111 31.748 -31.585 1.00 0.00 H new ATOM 0 HG13 ILE A 18 26.780 31.951 -32.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.933 29.634 -31.903 1.00 0.00 H new ATOM 0 HG22 ILE A 18 25.020 28.254 -31.616 1.00 0.00 H new ATOM 0 HG23 ILE A 18 25.078 29.670 -30.541 1.00 0.00 H new ATOM 0 HD11 ILE A 18 25.257 33.159 -33.625 1.00 0.00 H new ATOM 0 HD12 ILE A 18 26.098 31.845 -34.481 1.00 0.00 H new ATOM 0 HD13 ILE A 18 24.402 31.640 -33.980 1.00 0.00 H new ATOM 307 N THR A 19 28.974 31.227 -31.549 1.00 0.00 N ATOM 308 CA THR A 19 30.199 31.999 -31.757 1.00 0.00 C ATOM 309 C THR A 19 31.151 31.353 -30.834 1.00 0.00 C ATOM 310 O THR A 19 32.378 31.404 -30.957 1.00 0.00 O ATOM 311 CB THR A 19 30.081 33.435 -31.292 1.00 0.00 C ATOM 312 OG1 THR A 19 29.007 34.041 -31.939 1.00 0.00 O ATOM 313 CG2 THR A 19 31.380 34.176 -31.603 1.00 0.00 C ATOM 0 H THR A 19 28.503 31.425 -30.666 1.00 0.00 H new ATOM 0 HA THR A 19 30.464 32.016 -32.814 1.00 0.00 H new ATOM 0 HB THR A 19 29.908 33.466 -30.216 1.00 0.00 H new ATOM 0 HG1 THR A 19 29.269 34.936 -32.240 1.00 0.00 H new ATOM 0 HG21 THR A 19 31.298 35.210 -31.269 1.00 0.00 H new ATOM 0 HG22 THR A 19 32.208 33.692 -31.085 1.00 0.00 H new ATOM 0 HG23 THR A 19 31.563 34.155 -32.677 1.00 0.00 H new ATOM 321 N ASP A 20 30.496 30.753 -29.882 1.00 0.00 N ATOM 322 CA ASP A 20 31.125 30.057 -28.843 1.00 0.00 C ATOM 323 C ASP A 20 32.413 29.410 -29.354 1.00 0.00 C ATOM 324 O ASP A 20 33.467 29.554 -28.736 1.00 0.00 O ATOM 325 CB ASP A 20 30.138 29.028 -28.340 1.00 0.00 C ATOM 326 CG ASP A 20 30.833 27.686 -28.132 1.00 0.00 C ATOM 327 OD1 ASP A 20 31.238 27.090 -29.117 1.00 0.00 O ATOM 328 OD2 ASP A 20 30.977 27.289 -26.989 1.00 0.00 O ATOM 0 H ASP A 20 29.478 30.746 -29.823 1.00 0.00 H new ATOM 0 HA ASP A 20 31.410 30.722 -28.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 29.696 29.366 -27.403 1.00 0.00 H new ATOM 0 HB3 ASP A 20 29.323 28.916 -29.055 1.00 0.00 H new ATOM 333 N PRO A 21 32.355 28.719 -30.483 1.00 0.00 N ATOM 334 CA PRO A 21 33.534 28.075 -31.089 1.00 0.00 C ATOM 335 C PRO A 21 34.229 29.037 -32.039 1.00 0.00 C ATOM 336 O PRO A 21 35.453 29.017 -32.163 1.00 0.00 O ATOM 337 CB PRO A 21 32.956 26.867 -31.837 1.00 0.00 C ATOM 338 CG PRO A 21 31.484 27.114 -31.978 1.00 0.00 C ATOM 339 CD PRO A 21 31.170 28.460 -31.310 1.00 0.00 C ATOM 0 HA PRO A 21 34.285 27.780 -30.357 1.00 0.00 H new ATOM 0 HB2 PRO A 21 33.425 26.756 -32.814 1.00 0.00 H new ATOM 0 HB3 PRO A 21 33.143 25.945 -31.287 1.00 0.00 H new ATOM 0 HG2 PRO A 21 31.199 27.133 -33.030 1.00 0.00 H new ATOM 0 HG3 PRO A 21 30.915 26.312 -31.508 1.00 0.00 H new ATOM 0 HD2 PRO A 21 31.016 29.248 -32.048 1.00 0.00 H new ATOM 0 HD3 PRO A 21 30.264 28.407 -30.707 1.00 0.00 H new ATOM 347 N GLY A 22 33.444 29.894 -32.704 1.00 0.00 N ATOM 348 CA GLY A 22 34.071 30.879 -33.643 1.00 0.00 C ATOM 349 C GLY A 22 33.126 31.301 -34.762 1.00 0.00 C ATOM 350 O GLY A 22 33.482 32.150 -35.582 1.00 0.00 O ATOM 0 H GLY A 22 32.428 29.941 -32.629 1.00 0.00 H new ATOM 0 HA2 GLY A 22 34.384 31.761 -33.084 1.00 0.00 H new ATOM 0 HA3 GLY A 22 34.970 30.441 -34.077 1.00 0.00 H new ATOM 354 N GLU A 23 31.920 30.740 -34.798 1.00 0.00 N ATOM 355 CA GLU A 23 30.972 31.130 -35.836 1.00 0.00 C ATOM 356 C GLU A 23 30.342 32.460 -35.471 1.00 0.00 C ATOM 357 O GLU A 23 30.883 33.200 -34.652 1.00 0.00 O ATOM 358 CB GLU A 23 29.866 30.087 -36.044 1.00 0.00 C ATOM 359 CG GLU A 23 30.246 28.744 -35.400 1.00 0.00 C ATOM 360 CD GLU A 23 29.052 27.792 -35.445 1.00 0.00 C ATOM 361 OE1 GLU A 23 28.452 27.675 -36.501 1.00 0.00 O ATOM 362 OE2 GLU A 23 28.755 27.187 -34.425 1.00 0.00 O ATOM 0 H GLU A 23 31.583 30.035 -34.142 1.00 0.00 H new ATOM 0 HA GLU A 23 31.528 31.210 -36.770 1.00 0.00 H new ATOM 0 HB2 GLU A 23 28.933 30.450 -35.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 29.690 29.946 -37.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 31.093 28.305 -35.927 1.00 0.00 H new ATOM 0 HG3 GLU A 23 30.559 28.901 -34.368 1.00 0.00 H new ATOM 369 N ARG A 24 29.206 32.781 -36.090 1.00 0.00 N ATOM 370 CA ARG A 24 28.556 34.049 -35.799 1.00 0.00 C ATOM 371 C ARG A 24 29.393 35.185 -36.335 1.00 0.00 C ATOM 372 O ARG A 24 28.924 36.312 -36.484 1.00 0.00 O ATOM 373 CB ARG A 24 28.464 34.217 -34.300 1.00 0.00 C ATOM 374 CG ARG A 24 27.325 35.183 -33.948 1.00 0.00 C ATOM 375 CD ARG A 24 26.834 34.923 -32.528 1.00 0.00 C ATOM 376 NE ARG A 24 25.443 35.358 -32.331 1.00 0.00 N ATOM 377 CZ ARG A 24 24.815 36.262 -33.096 1.00 0.00 C ATOM 378 NH1 ARG A 24 25.398 36.859 -34.100 1.00 0.00 N ATOM 379 NH2 ARG A 24 23.578 36.564 -32.817 1.00 0.00 N ATOM 0 H ARG A 24 28.731 32.196 -36.777 1.00 0.00 H new ATOM 0 HA ARG A 24 27.567 34.058 -36.258 1.00 0.00 H new ATOM 0 HB2 ARG A 24 28.291 33.250 -33.828 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.408 34.598 -33.910 1.00 0.00 H new ATOM 0 HG2 ARG A 24 27.671 36.213 -34.038 1.00 0.00 H new ATOM 0 HG3 ARG A 24 26.503 35.060 -34.653 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.914 33.859 -32.307 1.00 0.00 H new ATOM 0 HD3 ARG A 24 27.479 35.445 -31.821 1.00 0.00 H new ATOM 0 HE ARG A 24 24.920 34.943 -31.559 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.369 36.643 -34.328 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.883 37.541 -34.657 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.108 36.115 -32.031 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.080 37.249 -33.385 1.00 0.00 H new ATOM 393 N GLN A 25 30.650 34.880 -36.584 1.00 0.00 N ATOM 394 CA GLN A 25 31.579 35.888 -37.061 1.00 0.00 C ATOM 395 C GLN A 25 31.602 37.002 -36.051 1.00 0.00 C ATOM 396 O GLN A 25 31.894 38.158 -36.354 1.00 0.00 O ATOM 397 CB GLN A 25 31.190 36.383 -38.451 1.00 0.00 C ATOM 398 CG GLN A 25 31.438 35.246 -39.450 1.00 0.00 C ATOM 399 CD GLN A 25 31.130 33.907 -38.778 1.00 0.00 C ATOM 400 OE1 GLN A 25 30.163 33.237 -39.142 1.00 0.00 O ATOM 401 NE2 GLN A 25 31.891 33.482 -37.792 1.00 0.00 N ATOM 0 H GLN A 25 31.051 33.950 -36.466 1.00 0.00 H new ATOM 0 HA GLN A 25 32.579 35.467 -37.163 1.00 0.00 H new ATOM 0 HB2 GLN A 25 30.142 36.683 -38.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 31.777 37.261 -38.720 1.00 0.00 H new ATOM 0 HG2 GLN A 25 30.810 35.377 -40.331 1.00 0.00 H new ATOM 0 HG3 GLN A 25 32.473 35.265 -39.791 1.00 0.00 H new ATOM 0 HE21 GLN A 25 32.692 34.037 -37.490 1.00 0.00 H new ATOM 0 HE22 GLN A 25 31.680 32.598 -37.329 1.00 0.00 H new ATOM 410 N ARG A 26 31.332 36.589 -34.823 1.00 0.00 N ATOM 411 CA ARG A 26 31.345 37.465 -33.675 1.00 0.00 C ATOM 412 C ARG A 26 30.243 38.511 -33.692 1.00 0.00 C ATOM 413 O ARG A 26 30.409 39.561 -34.298 1.00 0.00 O ATOM 414 CB ARG A 26 32.684 38.183 -33.565 1.00 0.00 C ATOM 415 CG ARG A 26 33.830 37.396 -34.246 1.00 0.00 C ATOM 416 CD ARG A 26 33.753 35.881 -33.966 1.00 0.00 C ATOM 417 NE ARG A 26 33.952 35.134 -35.195 1.00 0.00 N ATOM 418 CZ ARG A 26 35.032 35.322 -35.946 1.00 0.00 C ATOM 419 NH1 ARG A 26 35.919 36.212 -35.600 1.00 0.00 N ATOM 420 NH2 ARG A 26 35.198 34.612 -37.028 1.00 0.00 N ATOM 0 H ARG A 26 31.095 35.623 -34.599 1.00 0.00 H new ATOM 0 HA ARG A 26 31.175 36.817 -32.815 1.00 0.00 H new ATOM 0 HB2 ARG A 26 32.603 39.170 -34.021 1.00 0.00 H new ATOM 0 HB3 ARG A 26 32.926 38.336 -32.513 1.00 0.00 H new ATOM 0 HG2 ARG A 26 33.794 37.566 -35.322 1.00 0.00 H new ATOM 0 HG3 ARG A 26 34.788 37.779 -33.895 1.00 0.00 H new ATOM 0 HD2 ARG A 26 34.510 35.600 -33.234 1.00 0.00 H new ATOM 0 HD3 ARG A 26 32.784 35.632 -33.533 1.00 0.00 H new ATOM 0 HE ARG A 26 33.251 34.453 -35.487 1.00 0.00 H new ATOM 0 HH11 ARG A 26 35.784 36.764 -34.753 1.00 0.00 H new ATOM 0 HH12 ARG A 26 36.748 36.357 -36.176 1.00 0.00 H new ATOM 0 HH21 ARG A 26 34.501 33.917 -37.294 1.00 0.00 H new ATOM 0 HH22 ARG A 26 36.025 34.752 -37.608 1.00 0.00 H new ATOM 434 N CYS A 27 29.147 38.232 -32.962 1.00 0.00 N ATOM 435 CA CYS A 27 28.038 39.186 -32.836 1.00 0.00 C ATOM 436 C CYS A 27 28.568 40.605 -32.951 1.00 0.00 C ATOM 437 O CYS A 27 28.686 41.329 -31.964 1.00 0.00 O ATOM 438 CB CYS A 27 27.342 39.035 -31.477 1.00 0.00 C ATOM 439 SG CYS A 27 25.632 38.507 -31.737 1.00 0.00 S ATOM 0 H CYS A 27 29.009 37.358 -32.455 1.00 0.00 H new ATOM 0 HA CYS A 27 27.323 38.981 -33.632 1.00 0.00 H new ATOM 0 HB2 CYS A 27 27.871 38.305 -30.864 1.00 0.00 H new ATOM 0 HB3 CYS A 27 27.364 39.981 -30.937 1.00 0.00 H new ATOM 0 HG CYS A 27 25.208 37.874 -30.684 1.00 0.00 H new ATOM 445 N ILE A 28 28.910 40.989 -34.152 1.00 0.00 N ATOM 446 CA ILE A 28 29.453 42.311 -34.372 1.00 0.00 C ATOM 447 C ILE A 28 30.722 42.465 -33.512 1.00 0.00 C ATOM 448 O ILE A 28 31.052 43.563 -33.080 1.00 0.00 O ATOM 449 CB ILE A 28 28.356 43.385 -34.069 1.00 0.00 C ATOM 450 CG1 ILE A 28 28.673 44.251 -32.831 1.00 0.00 C ATOM 451 CG2 ILE A 28 27.005 42.697 -33.818 1.00 0.00 C ATOM 452 CD1 ILE A 28 29.527 45.465 -33.234 1.00 0.00 C ATOM 0 H ILE A 28 28.825 40.413 -34.990 1.00 0.00 H new ATOM 0 HA ILE A 28 29.744 42.458 -35.412 1.00 0.00 H new ATOM 0 HB ILE A 28 28.325 44.035 -34.944 1.00 0.00 H new ATOM 0 HG12 ILE A 28 27.746 44.588 -32.367 1.00 0.00 H new ATOM 0 HG13 ILE A 28 29.203 43.655 -32.088 1.00 0.00 H new ATOM 0 HG21 ILE A 28 26.246 43.451 -33.608 1.00 0.00 H new ATOM 0 HG22 ILE A 28 26.716 42.128 -34.702 1.00 0.00 H new ATOM 0 HG23 ILE A 28 27.093 42.023 -32.966 1.00 0.00 H new ATOM 0 HD11 ILE A 28 29.743 46.067 -32.351 1.00 0.00 H new ATOM 0 HD12 ILE A 28 30.462 45.121 -33.677 1.00 0.00 H new ATOM 0 HD13 ILE A 28 28.982 46.068 -33.960 1.00 0.00 H new ATOM 464 N ASP A 29 31.424 41.313 -33.281 1.00 0.00 N ATOM 465 CA ASP A 29 32.672 41.265 -32.466 1.00 0.00 C ATOM 466 C ASP A 29 32.350 41.210 -30.965 1.00 0.00 C ATOM 467 O ASP A 29 33.232 41.360 -30.144 1.00 0.00 O ATOM 468 CB ASP A 29 33.576 42.468 -32.791 1.00 0.00 C ATOM 469 CG ASP A 29 34.838 42.008 -33.522 1.00 0.00 C ATOM 470 OD1 ASP A 29 35.309 40.924 -33.233 1.00 0.00 O ATOM 471 OD2 ASP A 29 35.326 42.758 -34.349 1.00 0.00 O ATOM 0 H ASP A 29 31.142 40.405 -33.651 1.00 0.00 H new ATOM 0 HA ASP A 29 33.211 40.353 -32.723 1.00 0.00 H new ATOM 0 HB2 ASP A 29 33.032 43.183 -33.408 1.00 0.00 H new ATOM 0 HB3 ASP A 29 33.849 42.984 -31.871 1.00 0.00 H new ATOM 476 N MET A 30 31.073 41.000 -30.626 1.00 0.00 N ATOM 477 CA MET A 30 30.615 40.951 -29.220 1.00 0.00 C ATOM 478 C MET A 30 31.451 40.010 -28.312 1.00 0.00 C ATOM 479 O MET A 30 30.902 39.212 -27.550 1.00 0.00 O ATOM 480 CB MET A 30 29.149 40.574 -29.208 1.00 0.00 C ATOM 481 CG MET A 30 28.607 40.547 -27.771 1.00 0.00 C ATOM 482 SD MET A 30 28.378 38.839 -27.223 1.00 0.00 S ATOM 483 CE MET A 30 28.845 39.119 -25.494 1.00 0.00 C ATOM 0 H MET A 30 30.328 40.859 -31.308 1.00 0.00 H new ATOM 0 HA MET A 30 30.760 41.942 -28.789 1.00 0.00 H new ATOM 0 HB2 MET A 30 28.580 41.288 -29.803 1.00 0.00 H new ATOM 0 HB3 MET A 30 29.016 39.596 -29.671 1.00 0.00 H new ATOM 0 HG2 MET A 30 29.299 41.061 -27.104 1.00 0.00 H new ATOM 0 HG3 MET A 30 27.659 41.083 -27.722 1.00 0.00 H new ATOM 0 HE1 MET A 30 28.864 38.167 -24.964 1.00 0.00 H new ATOM 0 HE2 MET A 30 29.833 39.577 -25.454 1.00 0.00 H new ATOM 0 HE3 MET A 30 28.118 39.782 -25.024 1.00 0.00 H new ATOM 493 N TYR A 31 32.784 40.154 -28.382 1.00 0.00 N ATOM 494 CA TYR A 31 33.744 39.390 -27.580 1.00 0.00 C ATOM 495 C TYR A 31 35.039 40.109 -27.816 1.00 0.00 C ATOM 496 O TYR A 31 36.038 39.961 -27.115 1.00 0.00 O ATOM 497 CB TYR A 31 33.852 37.916 -28.011 1.00 0.00 C ATOM 498 CG TYR A 31 32.611 37.525 -28.761 1.00 0.00 C ATOM 499 CD1 TYR A 31 32.264 38.210 -29.923 1.00 0.00 C ATOM 500 CD2 TYR A 31 31.795 36.499 -28.281 1.00 0.00 C ATOM 501 CE1 TYR A 31 31.102 37.884 -30.607 1.00 0.00 C ATOM 502 CE2 TYR A 31 30.629 36.165 -28.969 1.00 0.00 C ATOM 503 CZ TYR A 31 30.274 36.864 -30.131 1.00 0.00 C ATOM 504 OH TYR A 31 29.126 36.528 -30.818 1.00 0.00 O ATOM 0 H TYR A 31 33.231 40.820 -29.012 1.00 0.00 H new ATOM 0 HA TYR A 31 33.447 39.344 -26.532 1.00 0.00 H new ATOM 0 HB2 TYR A 31 34.731 37.773 -28.640 1.00 0.00 H new ATOM 0 HB3 TYR A 31 33.978 37.278 -27.136 1.00 0.00 H new ATOM 0 HD1 TYR A 31 32.902 38.999 -30.293 1.00 0.00 H new ATOM 0 HD2 TYR A 31 32.065 35.967 -27.381 1.00 0.00 H new ATOM 0 HE1 TYR A 31 30.837 38.419 -31.507 1.00 0.00 H new ATOM 0 HE2 TYR A 31 29.999 35.367 -28.606 1.00 0.00 H new ATOM 0 HH TYR A 31 28.957 35.567 -30.722 1.00 0.00 H new ATOM 514 N CYS A 32 34.915 40.947 -28.821 1.00 0.00 N ATOM 515 CA CYS A 32 35.930 41.841 -29.282 1.00 0.00 C ATOM 516 C CYS A 32 35.300 43.229 -29.198 1.00 0.00 C ATOM 517 O CYS A 32 35.888 44.192 -28.707 1.00 0.00 O ATOM 518 CB CYS A 32 36.277 41.474 -30.720 1.00 0.00 C ATOM 519 SG CYS A 32 35.675 39.799 -31.040 1.00 0.00 S ATOM 0 H CYS A 32 34.053 41.020 -29.361 1.00 0.00 H new ATOM 0 HA CYS A 32 36.851 41.797 -28.700 1.00 0.00 H new ATOM 0 HB2 CYS A 32 35.820 42.180 -31.413 1.00 0.00 H new ATOM 0 HB3 CYS A 32 37.355 41.526 -30.876 1.00 0.00 H new ATOM 0 HG CYS A 32 35.139 39.749 -32.223 1.00 0.00 H new ATOM 525 N SER A 33 34.045 43.254 -29.654 1.00 0.00 N ATOM 526 CA SER A 33 33.193 44.426 -29.629 1.00 0.00 C ATOM 527 C SER A 33 32.698 44.669 -28.209 1.00 0.00 C ATOM 528 O SER A 33 32.245 45.761 -27.873 1.00 0.00 O ATOM 529 CB SER A 33 31.981 44.228 -30.553 1.00 0.00 C ATOM 530 OG SER A 33 31.016 45.245 -30.295 1.00 0.00 O ATOM 0 H SER A 33 33.591 42.436 -30.059 1.00 0.00 H new ATOM 0 HA SER A 33 33.772 45.283 -29.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.295 44.266 -31.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 31.541 43.244 -30.388 1.00 0.00 H new ATOM 0 HG SER A 33 30.118 44.899 -30.480 1.00 0.00 H new ATOM 536 N TYR A 34 32.775 43.632 -27.384 1.00 0.00 N ATOM 537 CA TYR A 34 32.314 43.745 -25.989 1.00 0.00 C ATOM 538 C TYR A 34 33.451 43.420 -25.023 1.00 0.00 C ATOM 539 O TYR A 34 33.285 43.539 -23.810 1.00 0.00 O ATOM 540 CB TYR A 34 31.140 42.796 -25.745 1.00 0.00 C ATOM 541 CG TYR A 34 29.849 43.573 -25.869 1.00 0.00 C ATOM 542 CD1 TYR A 34 29.598 44.341 -27.014 1.00 0.00 C ATOM 543 CD2 TYR A 34 28.905 43.531 -24.837 1.00 0.00 C ATOM 544 CE1 TYR A 34 28.406 45.067 -27.126 1.00 0.00 C ATOM 545 CE2 TYR A 34 27.714 44.257 -24.948 1.00 0.00 C ATOM 546 CZ TYR A 34 27.463 45.022 -26.093 1.00 0.00 C ATOM 547 OH TYR A 34 26.289 45.741 -26.205 1.00 0.00 O ATOM 0 H TYR A 34 33.143 42.716 -27.641 1.00 0.00 H new ATOM 0 HA TYR A 34 31.988 44.770 -25.815 1.00 0.00 H new ATOM 0 HB2 TYR A 34 31.159 41.979 -26.466 1.00 0.00 H new ATOM 0 HB3 TYR A 34 31.217 42.348 -24.754 1.00 0.00 H new ATOM 0 HD1 TYR A 34 30.325 44.373 -27.812 1.00 0.00 H new ATOM 0 HD2 TYR A 34 29.096 42.938 -23.955 1.00 0.00 H new ATOM 0 HE1 TYR A 34 28.215 45.660 -28.008 1.00 0.00 H new ATOM 0 HE2 TYR A 34 26.988 44.227 -24.149 1.00 0.00 H new ATOM 0 HH TYR A 34 25.742 45.601 -25.404 1.00 0.00 H new ATOM 557 N THR A 35 34.600 43.015 -25.574 1.00 0.00 N ATOM 558 CA THR A 35 35.773 42.686 -24.759 1.00 0.00 C ATOM 559 C THR A 35 36.018 43.755 -23.687 1.00 0.00 C ATOM 560 O THR A 35 35.093 44.413 -23.219 1.00 0.00 O ATOM 561 CB THR A 35 37.021 42.576 -25.649 1.00 0.00 C ATOM 562 OG1 THR A 35 38.128 42.173 -24.860 1.00 0.00 O ATOM 563 CG2 THR A 35 37.334 43.941 -26.284 1.00 0.00 C ATOM 0 H THR A 35 34.742 42.907 -26.578 1.00 0.00 H new ATOM 0 HA THR A 35 35.580 41.732 -24.269 1.00 0.00 H new ATOM 0 HB THR A 35 36.834 41.843 -26.434 1.00 0.00 H new ATOM 0 HG1 THR A 35 38.924 42.101 -25.426 1.00 0.00 H new ATOM 0 HG21 THR A 35 38.220 43.855 -26.913 1.00 0.00 H new ATOM 0 HG22 THR A 35 36.488 44.263 -26.891 1.00 0.00 H new ATOM 0 HG23 THR A 35 37.517 44.674 -25.499 1.00 0.00 H new ATOM 571 N ASN A 36 37.279 43.920 -23.303 1.00 0.00 N ATOM 572 CA ASN A 36 37.633 44.906 -22.285 1.00 0.00 C ATOM 573 C ASN A 36 38.760 45.808 -22.772 1.00 0.00 C ATOM 574 O ASN A 36 39.489 46.310 -21.932 1.00 0.00 O ATOM 575 CB ASN A 36 38.083 44.207 -21.003 1.00 0.00 C ATOM 576 CG ASN A 36 37.194 43.007 -20.708 1.00 0.00 C ATOM 577 OD1 ASN A 36 36.079 43.161 -20.210 1.00 0.00 O ATOM 578 ND2 ASN A 36 37.627 41.809 -20.983 1.00 0.00 N ATOM 579 OXT ASN A 36 38.877 45.986 -23.973 1.00 0.00 O ATOM 0 H ASN A 36 38.067 43.390 -23.676 1.00 0.00 H new ATOM 0 HA ASN A 36 36.748 45.510 -22.087 1.00 0.00 H new ATOM 0 HB2 ASN A 36 39.119 43.883 -21.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.047 44.907 -20.168 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.042 40.997 -20.786 1.00 0.00 H new ATOM 0 HD22 ASN A 36 38.551 41.683 -21.396 1.00 0.00 H new TER 586 ASN A 36 CONECT 250 439 CONECT 439 250 END