USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 327 hydrogens (0 hets) HEADER HYDROLASE INHIBITOR 11-MAY-99 1QH2 TITLE CHYMOTRYPSIN INHIBITOR (C2) FROM NICOTIANA ALATA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (TRYPSIN INHIBITOR C2); COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: PROTEIN (TRYPSIN INHIBITOR C2); COMPND 6 CHAIN: B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA ALATA; SOURCE 3 ORGANISM_COMMON: PERSIAN TOBACCO; SOURCE 4 ORGANISM_TAXID: 4087; SOURCE 5 ORGAN: STIGMA; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: NICOTIANA ALATA; SOURCE 8 ORGANISM_COMMON: PERSIAN TOBACCO; SOURCE 9 ORGANISM_TAXID: 4087; SOURCE 0 ORGAN: STIGMA KEYWDS PROTEINASE INHIBITOR (CHYMOTRYPSIN), SERINE PROTEINASE KEYWDS 2 INHIBITOR, POTATO II TRYPSIN INHIBITOR, NICOTIANA ALATA, KEYWDS 3 HYDROLASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR M.C.S.LEE,M.J.SCANLON,M.A.ANDERSON,D.J.CRAIK REVDAT 4 24-FEB-09 1QH2 1 VERSN REVDAT 3 01-APR-03 1QH2 1 JRNL REVDAT 2 27-DEC-99 1QH2 1 JRNL REVDAT 1 24-MAY-99 1QH2 0 JRNL AUTH M.C.LEE,M.J.SCANLON,D.J.CRAIK,M.A.ANDERSON JRNL TITL A NOVEL TWO-CHAIN PROTEINASE INHIBITOR GENERATED JRNL TITL 2 BY CIRCULARIZATION OF A MULTIDOMAIN PRECURSOR JRNL TITL 3 PROTEIN. JRNL REF NAT.STRUCT.BIOL. V. 6 526 1999 JRNL REFN ISSN 1072-8368 JRNL PMID 10360353 JRNL DOI 10.1038/9293 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.J.NIELSEN,R.L.HEATH,M.A.ANDERSON,D.J.CRAIK REMARK 1 TITL THE THREE-DIMENSIONAL SOLUTION STRUCTURE BY 1H NMR REMARK 1 TITL 2 OF A 6-KDA PROTEINASE INHIBITOR ISOLATED FROM THE REMARK 1 TITL 3 STIGMA OF NICOTIANA ALATA REMARK 1 REF J.MOL.BIOL. V. 242 231 1994 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.1994.1575 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QH2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAY-99. REMARK 100 THE RCSB ID CODE IS RCSB001033. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 10% D2O/90% H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQFCOSY, ECOSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DRX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 ALA A 2 -166.44 56.41 REMARK 500 LEU A 5 -126.31 -135.01 REMARK 500 ASN A 6 92.12 51.97 REMARK 500 CYS A 7 51.86 -160.47 REMARK 500 ASP A 8 130.24 61.01 REMARK 500 ARG A 10 -10.09 -152.55 REMARK 500 ILE A 11 170.25 -59.65 REMARK 500 ALA A 12 -67.99 -131.49 REMARK 500 CYS B 3 0.03 -165.20 REMARK 500 THR B 4 118.68 73.84 REMARK 500 ASN B 5 135.41 118.34 REMARK 500 CYS B 6 15.11 -55.90 REMARK 500 ALA B 8 29.97 -157.91 REMARK 500 LYS B 11 65.47 86.23 REMARK 500 ASP B 18 -70.43 45.45 REMARK 500 ILE B 23 -42.93 -143.83 REMARK 500 GLU B 25 43.39 -84.08 REMARK 500 GLU B 27 -1.67 152.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: S1 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: CHYMOTRYPSIN REACTIVE SITE REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE REFERENCE: A.H.ATKINSON,R.L.HEATH, R.L.SIMPSON, REMARK 999 A.C.CLARKE,M.A.ANDERSON, PLANT CELL, 5, 203-213. DBREF 1QH2 A 1 18 UNP Q40378 Q40378_NICAL 30 47 DBREF 1QH2 B 1 28 UNP Q40378 Q40378_NICAL 345 372 SEQRES 1 A 18 LYS ALA CYS THR LEU ASN CYS ASP PRO ARG ILE ALA TYR SEQRES 2 A 18 GLY VAL CYS PRO ARG SEQRES 1 B 28 ARG ILE CYS THR ASN CYS CYS ALA GLY LYS LYS GLY CYS SEQRES 2 B 28 LYS TYR PHE SER ASP ASP GLY THR PHE ILE CYS GLU GLY SEQRES 3 B 28 GLU SER SHEET 1 A 2 TYR A 13 VAL A 15 0 SHEET 2 A 2 LYS B 14 PHE B 16 -1 N PHE B 16 O TYR A 13 SSBOND *** CYS A 3 CYS B 7 1555 1555 2.02 SSBOND *** CYS A 7 CYS B 3 1555 1555 2.02 SSBOND *** CYS A 16 CYS B 13 1555 1555 2.02 SSBOND *** CYS B 6 CYS B 24 1555 1555 2.02 SITE *** S1 2 LEU A 5 ASN A 6 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 6 ASN : amide:sc= -0.327 X(o=-2.6,f=-2.6) USER MOD Set 1.2: B 5 ASN : amide:sc= -2.24 K(o=-2.6,f=-0.48) USER MOD Single : A 1 LYS N :NH3+ 174:sc= -0.365 (180deg=-0.472) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.247 USER MOD Single : B 1 ARG N :NH3+ -178:sc= 0 (180deg=-0.00594) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ -153:sc= -0.122 (180deg=-0.76) USER MOD Single : B 11 LYS NZ :NH3+ -138:sc= 0.58 (180deg=-0.691) USER MOD Single : B 14 LYS NZ :NH3+ -170:sc= -1.01 (180deg=-1.54) USER MOD Single : B 15 TYR OH : rot 70:sc= -2.46! USER MOD Single : B 17 SER OG : rot 180:sc= -1.04 USER MOD Single : B 21 THR OG1 : rot -98:sc= 0.044 USER MOD Single : B 28 SER OG : rot 49:sc= 0.816 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.438 7.805 12.555 1.00 0.00 N ATOM 2 CA LYS A 1 27.538 6.800 12.502 1.00 0.00 C ATOM 3 C LYS A 1 27.004 5.464 11.962 1.00 0.00 C ATOM 4 O LYS A 1 25.854 5.126 12.172 1.00 0.00 O ATOM 5 CB LYS A 1 28.133 6.584 13.921 1.00 0.00 C ATOM 6 CG LYS A 1 27.024 6.305 14.977 1.00 0.00 C ATOM 7 CD LYS A 1 26.682 7.602 15.746 1.00 0.00 C ATOM 8 CE LYS A 1 25.519 7.327 16.714 1.00 0.00 C ATOM 9 NZ LYS A 1 25.189 8.565 17.474 1.00 0.00 N ATOM 0 H1 LYS A 1 26.782 8.672 13.015 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.124 8.027 11.589 1.00 0.00 H new ATOM 0 H3 LYS A 1 25.640 7.418 13.098 1.00 0.00 H new ATOM 0 HA LYS A 1 28.319 7.172 11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 1 28.832 5.748 13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 1 28.701 7.467 14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.131 5.919 14.485 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.360 5.538 15.674 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.554 7.952 16.298 1.00 0.00 H new ATOM 0 HD3 LYS A 1 26.409 8.392 15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 1 24.645 6.987 16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 1 25.790 6.528 17.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 24.402 8.373 18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 26.022 8.872 18.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 24.912 9.316 16.810 1.00 0.00 H new ATOM 25 N ALA A 2 27.868 4.749 11.279 1.00 0.00 N ATOM 26 CA ALA A 2 27.510 3.418 10.682 1.00 0.00 C ATOM 27 C ALA A 2 26.294 3.512 9.736 1.00 0.00 C ATOM 28 O ALA A 2 25.896 4.594 9.349 1.00 0.00 O ATOM 29 CB ALA A 2 27.219 2.427 11.837 1.00 0.00 C ATOM 0 H ALA A 2 28.830 5.039 11.106 1.00 0.00 H new ATOM 0 HA ALA A 2 28.348 3.068 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 2 26.957 1.453 11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.105 2.328 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 2 26.390 2.801 12.437 1.00 0.00 H new ATOM 35 N CYS A 3 25.744 2.373 9.390 1.00 0.00 N ATOM 36 CA CYS A 3 24.558 2.331 8.477 1.00 0.00 C ATOM 37 C CYS A 3 23.734 1.062 8.713 1.00 0.00 C ATOM 38 O CYS A 3 24.277 0.018 9.020 1.00 0.00 O ATOM 39 CB CYS A 3 25.028 2.355 7.012 1.00 0.00 C ATOM 40 SG CYS A 3 25.610 3.935 6.351 1.00 0.00 S ATOM 0 H CYS A 3 26.071 1.460 9.705 1.00 0.00 H new ATOM 0 HA CYS A 3 23.937 3.202 8.686 1.00 0.00 H new ATOM 0 HB2 CYS A 3 25.833 1.628 6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.203 2.012 6.388 1.00 0.00 H new ATOM 45 N THR A 4 22.439 1.203 8.557 1.00 0.00 N ATOM 46 CA THR A 4 21.502 0.049 8.748 1.00 0.00 C ATOM 47 C THR A 4 21.859 -1.044 7.726 1.00 0.00 C ATOM 48 O THR A 4 21.768 -2.224 8.002 1.00 0.00 O ATOM 49 CB THR A 4 20.050 0.562 8.541 1.00 0.00 C ATOM 50 OG1 THR A 4 19.227 -0.595 8.616 1.00 0.00 O ATOM 51 CG2 THR A 4 19.812 1.127 7.118 1.00 0.00 C ATOM 0 H THR A 4 21.985 2.080 8.302 1.00 0.00 H new ATOM 0 HA THR A 4 21.586 -0.373 9.750 1.00 0.00 H new ATOM 0 HB THR A 4 19.848 1.342 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 4 18.289 -0.338 8.494 1.00 0.00 H new ATOM 0 HG21 THR A 4 18.781 1.471 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 4 20.489 1.962 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 4 19.998 0.346 6.381 1.00 0.00 H new ATOM 59 N LEU A 5 22.255 -0.572 6.572 1.00 0.00 N ATOM 60 CA LEU A 5 22.654 -1.446 5.434 1.00 0.00 C ATOM 61 C LEU A 5 23.951 -0.818 4.892 1.00 0.00 C ATOM 62 O LEU A 5 24.869 -0.615 5.664 1.00 0.00 O ATOM 63 CB LEU A 5 21.507 -1.435 4.386 1.00 0.00 C ATOM 64 CG LEU A 5 20.271 -2.209 4.922 1.00 0.00 C ATOM 65 CD1 LEU A 5 19.014 -1.741 4.160 1.00 0.00 C ATOM 66 CD2 LEU A 5 20.462 -3.726 4.700 1.00 0.00 C ATOM 0 H LEU A 5 22.319 0.425 6.367 1.00 0.00 H new ATOM 0 HA LEU A 5 22.824 -2.487 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 5 21.227 -0.407 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.852 -1.888 3.456 1.00 0.00 H new ATOM 0 HG LEU A 5 20.158 -2.013 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 5 18.142 -2.280 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 5 18.872 -0.671 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 5 19.138 -1.941 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 5 19.591 -4.262 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 5 20.576 -3.926 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 5 21.353 -4.062 5.230 1.00 0.00 H new ATOM 78 N ASN A 6 23.997 -0.530 3.612 1.00 0.00 N ATOM 79 CA ASN A 6 25.201 0.085 2.963 1.00 0.00 C ATOM 80 C ASN A 6 26.491 -0.703 3.272 1.00 0.00 C ATOM 81 O ASN A 6 27.131 -0.435 4.271 1.00 0.00 O ATOM 82 CB ASN A 6 25.335 1.545 3.459 1.00 0.00 C ATOM 83 CG ASN A 6 24.069 2.330 3.104 1.00 0.00 C ATOM 84 OD1 ASN A 6 24.015 3.033 2.114 1.00 0.00 O ATOM 85 ND2 ASN A 6 23.031 2.235 3.890 1.00 0.00 N ATOM 0 H ASN A 6 23.224 -0.702 2.970 1.00 0.00 H new ATOM 0 HA ASN A 6 25.065 0.060 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.493 1.560 4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.206 2.016 3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 6 22.178 2.750 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.073 1.646 4.722 1.00 0.00 H new ATOM 92 N CYS A 7 26.853 -1.645 2.426 1.00 0.00 N ATOM 93 CA CYS A 7 28.099 -2.431 2.713 1.00 0.00 C ATOM 94 C CYS A 7 28.766 -3.188 1.535 1.00 0.00 C ATOM 95 O CYS A 7 29.018 -4.365 1.660 1.00 0.00 O ATOM 96 CB CYS A 7 27.753 -3.447 3.863 1.00 0.00 C ATOM 97 SG CYS A 7 26.153 -3.347 4.700 1.00 0.00 S ATOM 0 H CYS A 7 26.355 -1.898 1.573 1.00 0.00 H new ATOM 0 HA CYS A 7 28.852 -1.690 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 7 27.840 -4.451 3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 7 28.526 -3.350 4.626 1.00 0.00 H new ATOM 102 N ASP A 8 29.042 -2.548 0.426 1.00 0.00 N ATOM 103 CA ASP A 8 29.703 -3.242 -0.746 1.00 0.00 C ATOM 104 C ASP A 8 29.023 -4.437 -1.452 1.00 0.00 C ATOM 105 O ASP A 8 28.586 -5.371 -0.810 1.00 0.00 O ATOM 106 CB ASP A 8 31.134 -3.760 -0.374 1.00 0.00 C ATOM 107 CG ASP A 8 31.308 -5.012 0.513 1.00 0.00 C ATOM 108 OD1 ASP A 8 31.060 -6.097 0.013 1.00 0.00 O ATOM 109 OD2 ASP A 8 31.696 -4.810 1.652 1.00 0.00 O ATOM 0 H ASP A 8 28.838 -1.561 0.272 1.00 0.00 H new ATOM 0 HA ASP A 8 29.656 -2.416 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 8 31.660 -3.953 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 8 31.654 -2.940 0.121 1.00 0.00 H new ATOM 114 N PRO A 9 28.947 -4.374 -2.767 1.00 0.00 N ATOM 115 CA PRO A 9 28.383 -5.476 -3.579 1.00 0.00 C ATOM 116 C PRO A 9 29.472 -6.557 -3.703 1.00 0.00 C ATOM 117 O PRO A 9 29.173 -7.733 -3.785 1.00 0.00 O ATOM 118 CB PRO A 9 28.021 -4.857 -4.925 1.00 0.00 C ATOM 119 CG PRO A 9 28.852 -3.546 -5.029 1.00 0.00 C ATOM 120 CD PRO A 9 29.390 -3.228 -3.617 1.00 0.00 C ATOM 0 HA PRO A 9 27.497 -5.942 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 9 28.259 -5.536 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 9 26.953 -4.648 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 9 29.674 -3.667 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 9 28.234 -2.728 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 9 30.476 -3.136 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.991 -2.284 -3.246 1.00 0.00 H new ATOM 128 N ARG A 10 30.705 -6.100 -3.705 1.00 0.00 N ATOM 129 CA ARG A 10 31.882 -7.022 -3.825 1.00 0.00 C ATOM 130 C ARG A 10 33.160 -6.465 -3.163 1.00 0.00 C ATOM 131 O ARG A 10 34.125 -7.193 -3.033 1.00 0.00 O ATOM 132 CB ARG A 10 32.149 -7.284 -5.334 1.00 0.00 C ATOM 133 CG ARG A 10 31.571 -8.659 -5.779 1.00 0.00 C ATOM 134 CD ARG A 10 30.663 -8.479 -7.012 1.00 0.00 C ATOM 135 NE ARG A 10 29.356 -7.911 -6.545 1.00 0.00 N ATOM 136 CZ ARG A 10 28.223 -8.571 -6.608 1.00 0.00 C ATOM 137 NH1 ARG A 10 28.162 -9.783 -7.092 1.00 0.00 N ATOM 138 NH2 ARG A 10 27.150 -7.974 -6.168 1.00 0.00 N ATOM 0 H ARG A 10 30.948 -5.112 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 10 31.636 -7.944 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 10 31.700 -6.488 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 10 33.222 -7.259 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 10 32.385 -9.345 -6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 10 31.004 -9.105 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.131 -7.812 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.506 -9.434 -7.513 1.00 0.00 H new ATOM 0 HE ARG A 10 29.347 -6.967 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.008 -10.239 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 10 27.268 -10.273 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 10 27.211 -7.028 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.250 -8.453 -6.200 1.00 0.00 H new ATOM 152 N ILE A 11 33.151 -5.213 -2.765 1.00 0.00 N ATOM 153 CA ILE A 11 34.364 -4.606 -2.111 1.00 0.00 C ATOM 154 C ILE A 11 34.739 -5.368 -0.834 1.00 0.00 C ATOM 155 O ILE A 11 33.989 -6.208 -0.371 1.00 0.00 O ATOM 156 CB ILE A 11 34.045 -3.108 -1.830 1.00 0.00 C ATOM 157 CG1 ILE A 11 34.028 -2.354 -3.184 1.00 0.00 C ATOM 158 CG2 ILE A 11 35.056 -2.429 -0.894 1.00 0.00 C ATOM 159 CD1 ILE A 11 32.771 -1.493 -3.274 1.00 0.00 C ATOM 0 H ILE A 11 32.356 -4.582 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 11 35.232 -4.676 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 11 33.079 -3.070 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 11 34.916 -1.729 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 11 34.053 -3.066 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 11 34.770 -1.388 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 11 35.066 -2.945 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 11 36.050 -2.472 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 11 32.760 -0.963 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 11 31.889 -2.129 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 32.765 -0.771 -2.457 1.00 0.00 H new ATOM 171 N ALA A 12 35.892 -5.040 -0.306 1.00 0.00 N ATOM 172 CA ALA A 12 36.363 -5.735 0.940 1.00 0.00 C ATOM 173 C ALA A 12 36.876 -4.865 2.093 1.00 0.00 C ATOM 174 O ALA A 12 36.239 -4.800 3.128 1.00 0.00 O ATOM 175 CB ALA A 12 37.466 -6.729 0.530 1.00 0.00 C ATOM 0 H ALA A 12 36.524 -4.330 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 12 35.470 -6.201 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 12 37.831 -7.252 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 12 37.060 -7.452 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 12 38.289 -6.187 0.063 1.00 0.00 H new ATOM 181 N TYR A 13 37.998 -4.222 1.891 1.00 0.00 N ATOM 182 CA TYR A 13 38.592 -3.354 2.956 1.00 0.00 C ATOM 183 C TYR A 13 38.177 -1.920 2.665 1.00 0.00 C ATOM 184 O TYR A 13 38.013 -1.566 1.518 1.00 0.00 O ATOM 185 CB TYR A 13 40.134 -3.566 2.904 1.00 0.00 C ATOM 186 CG TYR A 13 40.959 -2.505 3.673 1.00 0.00 C ATOM 187 CD1 TYR A 13 40.584 -2.053 4.928 1.00 0.00 C ATOM 188 CD2 TYR A 13 42.114 -1.990 3.107 1.00 0.00 C ATOM 189 CE1 TYR A 13 41.347 -1.113 5.592 1.00 0.00 C ATOM 190 CE2 TYR A 13 42.874 -1.051 3.771 1.00 0.00 C ATOM 191 CZ TYR A 13 42.496 -0.609 5.018 1.00 0.00 C ATOM 192 OH TYR A 13 43.265 0.324 5.685 1.00 0.00 O ATOM 0 H TYR A 13 38.535 -4.261 1.024 1.00 0.00 H new ATOM 0 HA TYR A 13 38.248 -3.598 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 13 40.366 -4.551 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 13 40.452 -3.568 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.688 -2.439 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 13 42.424 -2.330 2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 13 41.042 -0.769 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 13 43.770 -0.661 3.311 1.00 0.00 H new ATOM 0 HH TYR A 13 44.037 0.567 5.132 1.00 0.00 H new ATOM 202 N GLY A 14 38.011 -1.141 3.701 1.00 0.00 N ATOM 203 CA GLY A 14 37.605 0.282 3.519 1.00 0.00 C ATOM 204 C GLY A 14 38.341 1.164 4.516 1.00 0.00 C ATOM 205 O GLY A 14 38.641 0.737 5.615 1.00 0.00 O ATOM 0 H GLY A 14 38.140 -1.432 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 14 37.827 0.605 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 14 36.528 0.382 3.657 1.00 0.00 H new ATOM 209 N VAL A 15 38.607 2.375 4.094 1.00 0.00 N ATOM 210 CA VAL A 15 39.331 3.349 4.956 1.00 0.00 C ATOM 211 C VAL A 15 38.622 4.710 4.972 1.00 0.00 C ATOM 212 O VAL A 15 39.015 5.614 4.265 1.00 0.00 O ATOM 213 CB VAL A 15 40.754 3.441 4.377 1.00 0.00 C ATOM 214 CG1 VAL A 15 41.705 4.093 5.362 1.00 0.00 C ATOM 215 CG2 VAL A 15 41.304 2.028 4.134 1.00 0.00 C ATOM 0 H VAL A 15 38.348 2.732 3.174 1.00 0.00 H new ATOM 0 HA VAL A 15 39.357 3.027 5.997 1.00 0.00 H new ATOM 0 HB VAL A 15 40.690 4.024 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 15 42.702 4.144 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 41.357 5.100 5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 15 41.740 3.504 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 15 42.312 2.095 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 41.332 1.481 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 40.660 1.503 3.429 1.00 0.00 H new ATOM 225 N CYS A 16 37.596 4.846 5.771 1.00 0.00 N ATOM 226 CA CYS A 16 36.880 6.158 5.814 1.00 0.00 C ATOM 227 C CYS A 16 37.819 7.348 6.141 1.00 0.00 C ATOM 228 O CYS A 16 37.727 8.349 5.456 1.00 0.00 O ATOM 229 CB CYS A 16 35.747 6.046 6.849 1.00 0.00 C ATOM 230 SG CYS A 16 34.662 4.614 6.650 1.00 0.00 S ATOM 0 H CYS A 16 37.227 4.121 6.386 1.00 0.00 H new ATOM 0 HA CYS A 16 36.477 6.370 4.824 1.00 0.00 H new ATOM 0 HB2 CYS A 16 36.188 6.012 7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 16 35.141 6.951 6.800 1.00 0.00 H new ATOM 235 N PRO A 17 38.684 7.250 7.135 1.00 0.00 N ATOM 236 CA PRO A 17 39.627 8.353 7.462 1.00 0.00 C ATOM 237 C PRO A 17 40.770 8.381 6.426 1.00 0.00 C ATOM 238 O PRO A 17 41.799 7.763 6.624 1.00 0.00 O ATOM 239 CB PRO A 17 40.119 8.059 8.878 1.00 0.00 C ATOM 240 CG PRO A 17 39.902 6.536 9.086 1.00 0.00 C ATOM 241 CD PRO A 17 38.845 6.084 8.052 1.00 0.00 C ATOM 0 HA PRO A 17 39.165 9.339 7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 17 41.170 8.324 8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 17 39.563 8.639 9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 17 40.836 5.991 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 17 39.561 6.330 10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 17 39.176 5.198 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.902 5.829 8.536 1.00 0.00 H new ATOM 249 N ARG A 18 40.542 9.097 5.351 1.00 0.00 N ATOM 250 CA ARG A 18 41.545 9.241 4.235 1.00 0.00 C ATOM 251 C ARG A 18 41.881 7.916 3.506 1.00 0.00 C ATOM 252 O ARG A 18 41.456 6.876 3.979 1.00 0.00 O ATOM 253 CB ARG A 18 42.867 9.852 4.799 1.00 0.00 C ATOM 254 CG ARG A 18 42.580 11.134 5.630 1.00 0.00 C ATOM 255 CD ARG A 18 43.608 11.273 6.770 1.00 0.00 C ATOM 256 NE ARG A 18 43.352 10.200 7.788 1.00 0.00 N ATOM 257 CZ ARG A 18 44.126 9.149 7.923 1.00 0.00 C ATOM 258 NH1 ARG A 18 45.177 8.973 7.166 1.00 0.00 N ATOM 259 NH2 ARG A 18 43.811 8.279 8.843 1.00 0.00 N ATOM 260 OXT ARG A 18 42.554 8.017 2.494 1.00 0.00 O ATOM 0 H ARG A 18 39.673 9.607 5.192 1.00 0.00 H new ATOM 0 HA ARG A 18 41.080 9.895 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 18 43.374 9.116 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 18 43.541 10.091 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 18 42.622 12.011 4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 18 41.572 11.090 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 18 44.621 11.186 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 18 43.529 12.257 7.231 1.00 0.00 H new ATOM 0 HE ARG A 18 42.542 10.292 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 18 45.411 9.661 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 45.763 8.147 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 18 42.988 8.429 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 18 44.388 7.449 8.979 1.00 0.00 H new TER 274 ARG A 18 ATOM 275 N ARG B 1 28.537 -7.521 6.217 1.00 0.00 N ATOM 276 CA ARG B 1 29.828 -7.248 5.528 1.00 0.00 C ATOM 277 C ARG B 1 29.546 -6.868 4.069 1.00 0.00 C ATOM 278 O ARG B 1 30.015 -5.848 3.605 1.00 0.00 O ATOM 279 CB ARG B 1 30.719 -8.506 5.575 1.00 0.00 C ATOM 280 CG ARG B 1 32.146 -8.165 5.091 1.00 0.00 C ATOM 281 CD ARG B 1 32.882 -9.476 4.757 1.00 0.00 C ATOM 282 NE ARG B 1 34.233 -9.147 4.202 1.00 0.00 N ATOM 283 CZ ARG B 1 34.392 -8.725 2.971 1.00 0.00 C ATOM 284 NH1 ARG B 1 33.364 -8.570 2.178 1.00 0.00 N ATOM 285 NH2 ARG B 1 35.605 -8.467 2.572 1.00 0.00 N ATOM 0 H1 ARG B 1 28.718 -7.746 7.216 1.00 0.00 H new ATOM 0 H2 ARG B 1 27.927 -6.681 6.156 1.00 0.00 H new ATOM 0 H3 ARG B 1 28.063 -8.327 5.761 1.00 0.00 H new ATOM 0 HA ARG B 1 30.344 -6.428 6.028 1.00 0.00 H new ATOM 0 HB2 ARG B 1 30.755 -8.897 6.592 1.00 0.00 H new ATOM 0 HB3 ARG B 1 30.291 -9.288 4.948 1.00 0.00 H new ATOM 0 HG2 ARG B 1 32.103 -7.522 4.212 1.00 0.00 H new ATOM 0 HG3 ARG B 1 32.685 -7.615 5.862 1.00 0.00 H new ATOM 0 HD2 ARG B 1 32.982 -10.091 5.652 1.00 0.00 H new ATOM 0 HD3 ARG B 1 32.309 -10.056 4.034 1.00 0.00 H new ATOM 0 HE ARG B 1 35.053 -9.254 4.799 1.00 0.00 H new ATOM 0 HH11 ARG B 1 32.424 -8.778 2.515 1.00 0.00 H new ATOM 0 HH12 ARG B 1 33.502 -8.241 1.222 1.00 0.00 H new ATOM 0 HH21 ARG B 1 36.390 -8.595 3.210 1.00 0.00 H new ATOM 0 HH22 ARG B 1 35.770 -8.137 1.621 1.00 0.00 H new ATOM 301 N ILE B 2 28.790 -7.707 3.406 1.00 0.00 N ATOM 302 CA ILE B 2 28.424 -7.478 1.973 1.00 0.00 C ATOM 303 C ILE B 2 26.939 -7.081 1.879 1.00 0.00 C ATOM 304 O ILE B 2 26.065 -7.835 2.260 1.00 0.00 O ATOM 305 CB ILE B 2 28.747 -8.804 1.192 1.00 0.00 C ATOM 306 CG1 ILE B 2 28.687 -8.623 -0.366 1.00 0.00 C ATOM 307 CG2 ILE B 2 27.899 -10.015 1.672 1.00 0.00 C ATOM 308 CD1 ILE B 2 27.259 -8.395 -0.913 1.00 0.00 C ATOM 0 H ILE B 2 28.402 -8.561 3.807 1.00 0.00 H new ATOM 0 HA ILE B 2 28.993 -6.661 1.530 1.00 0.00 H new ATOM 0 HB ILE B 2 29.783 -9.040 1.438 1.00 0.00 H new ATOM 0 HG12 ILE B 2 29.314 -7.777 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE B 2 29.111 -9.507 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE B 2 28.168 -10.899 1.095 1.00 0.00 H new ATOM 0 HG22 ILE B 2 28.093 -10.199 2.729 1.00 0.00 H new ATOM 0 HG23 ILE B 2 26.841 -9.797 1.530 1.00 0.00 H new ATOM 0 HD11 ILE B 2 27.299 -8.279 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE B 2 26.632 -9.251 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE B 2 26.838 -7.494 -0.466 1.00 0.00 H new ATOM 320 N CYS B 3 26.703 -5.894 1.374 1.00 0.00 N ATOM 321 CA CYS B 3 25.310 -5.375 1.218 1.00 0.00 C ATOM 322 C CYS B 3 25.254 -4.143 0.284 1.00 0.00 C ATOM 323 O CYS B 3 24.183 -3.609 0.068 1.00 0.00 O ATOM 324 CB CYS B 3 24.728 -5.018 2.621 1.00 0.00 C ATOM 325 SG CYS B 3 24.824 -3.304 3.180 1.00 0.00 S ATOM 0 H CYS B 3 27.431 -5.253 1.058 1.00 0.00 H new ATOM 0 HA CYS B 3 24.707 -6.157 0.757 1.00 0.00 H new ATOM 0 HB2 CYS B 3 23.678 -5.312 2.629 1.00 0.00 H new ATOM 0 HB3 CYS B 3 25.238 -5.637 3.359 1.00 0.00 H new ATOM 330 N THR B 4 26.393 -3.727 -0.233 1.00 0.00 N ATOM 331 CA THR B 4 26.500 -2.554 -1.172 1.00 0.00 C ATOM 332 C THR B 4 26.358 -1.120 -0.652 1.00 0.00 C ATOM 333 O THR B 4 25.330 -0.747 -0.129 1.00 0.00 O ATOM 334 CB THR B 4 25.466 -2.722 -2.326 1.00 0.00 C ATOM 335 OG1 THR B 4 25.621 -4.061 -2.778 1.00 0.00 O ATOM 336 CG2 THR B 4 25.826 -1.859 -3.554 1.00 0.00 C ATOM 0 H THR B 4 27.289 -4.172 -0.033 1.00 0.00 H new ATOM 0 HA THR B 4 27.551 -2.617 -1.455 1.00 0.00 H new ATOM 0 HB THR B 4 24.476 -2.451 -1.959 1.00 0.00 H new ATOM 0 HG1 THR B 4 24.992 -4.234 -3.510 1.00 0.00 H new ATOM 0 HG21 THR B 4 25.079 -2.007 -4.334 1.00 0.00 H new ATOM 0 HG22 THR B 4 25.847 -0.808 -3.266 1.00 0.00 H new ATOM 0 HG23 THR B 4 26.806 -2.152 -3.930 1.00 0.00 H new ATOM 344 N ASN B 5 27.450 -0.414 -0.856 1.00 0.00 N ATOM 345 CA ASN B 5 27.713 1.026 -0.513 1.00 0.00 C ATOM 346 C ASN B 5 28.851 1.276 0.476 1.00 0.00 C ATOM 347 O ASN B 5 28.982 0.604 1.480 1.00 0.00 O ATOM 348 CB ASN B 5 26.457 1.732 0.063 1.00 0.00 C ATOM 349 CG ASN B 5 26.721 3.244 0.148 1.00 0.00 C ATOM 350 OD1 ASN B 5 26.447 3.991 -0.771 1.00 0.00 O ATOM 351 ND2 ASN B 5 27.255 3.733 1.234 1.00 0.00 N ATOM 0 H ASN B 5 28.263 -0.839 -1.302 1.00 0.00 H new ATOM 0 HA ASN B 5 28.006 1.440 -1.478 1.00 0.00 H new ATOM 0 HB2 ASN B 5 25.592 1.537 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN B 5 26.223 1.335 1.051 1.00 0.00 H new ATOM 0 HD21 ASN B 5 27.439 4.734 1.306 1.00 0.00 H new ATOM 0 HD22 ASN B 5 27.488 3.114 2.011 1.00 0.00 H new ATOM 358 N CYS B 6 29.622 2.270 0.080 1.00 0.00 N ATOM 359 CA CYS B 6 30.824 2.777 0.800 1.00 0.00 C ATOM 360 C CYS B 6 30.698 3.230 2.236 1.00 0.00 C ATOM 361 O CYS B 6 31.560 3.907 2.756 1.00 0.00 O ATOM 362 CB CYS B 6 31.447 3.868 -0.070 1.00 0.00 C ATOM 363 SG CYS B 6 32.820 3.177 -1.057 1.00 0.00 S ATOM 0 H CYS B 6 29.440 2.781 -0.784 1.00 0.00 H new ATOM 0 HA CYS B 6 31.454 1.898 0.933 1.00 0.00 H new ATOM 0 HB2 CYS B 6 30.691 4.292 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS B 6 31.813 4.680 0.558 1.00 0.00 H new ATOM 368 N CYS B 7 29.612 2.870 2.859 1.00 0.00 N ATOM 369 CA CYS B 7 29.458 3.240 4.290 1.00 0.00 C ATOM 370 C CYS B 7 30.367 2.078 4.862 1.00 0.00 C ATOM 371 O CYS B 7 30.905 2.158 5.949 1.00 0.00 O ATOM 372 CB CYS B 7 28.019 3.061 4.759 1.00 0.00 C ATOM 373 SG CYS B 7 27.621 3.750 6.384 1.00 0.00 S ATOM 0 H CYS B 7 28.839 2.346 2.449 1.00 0.00 H new ATOM 0 HA CYS B 7 29.706 4.266 4.564 1.00 0.00 H new ATOM 0 HB2 CYS B 7 27.358 3.517 4.022 1.00 0.00 H new ATOM 0 HB3 CYS B 7 27.793 1.995 4.773 1.00 0.00 H new ATOM 378 N ALA B 8 30.473 1.039 4.042 1.00 0.00 N ATOM 379 CA ALA B 8 31.243 -0.214 4.240 1.00 0.00 C ATOM 380 C ALA B 8 31.496 -0.813 2.803 1.00 0.00 C ATOM 381 O ALA B 8 31.595 -2.017 2.655 1.00 0.00 O ATOM 382 CB ALA B 8 30.387 -1.144 5.124 1.00 0.00 C ATOM 0 H ALA B 8 29.989 1.037 3.144 1.00 0.00 H new ATOM 0 HA ALA B 8 32.203 -0.069 4.735 1.00 0.00 H new ATOM 0 HB1 ALA B 8 30.921 -2.079 5.293 1.00 0.00 H new ATOM 0 HB2 ALA B 8 30.193 -0.659 6.081 1.00 0.00 H new ATOM 0 HB3 ALA B 8 29.441 -1.352 4.624 1.00 0.00 H new ATOM 388 N GLY B 9 31.595 0.034 1.785 1.00 0.00 N ATOM 389 CA GLY B 9 31.836 -0.466 0.367 1.00 0.00 C ATOM 390 C GLY B 9 32.101 0.412 -0.933 1.00 0.00 C ATOM 391 O GLY B 9 33.232 0.516 -1.359 1.00 0.00 O ATOM 0 H GLY B 9 31.520 1.047 1.872 1.00 0.00 H new ATOM 0 HA2 GLY B 9 32.692 -1.137 0.440 1.00 0.00 H new ATOM 0 HA3 GLY B 9 30.968 -1.081 0.127 1.00 0.00 H new ATOM 395 N LYS B 10 31.062 1.005 -1.499 1.00 0.00 N ATOM 396 CA LYS B 10 31.037 1.881 -2.766 1.00 0.00 C ATOM 397 C LYS B 10 30.236 3.248 -2.664 1.00 0.00 C ATOM 398 O LYS B 10 29.029 3.238 -2.530 1.00 0.00 O ATOM 399 CB LYS B 10 30.435 0.999 -3.881 1.00 0.00 C ATOM 400 CG LYS B 10 30.372 1.727 -5.244 1.00 0.00 C ATOM 401 CD LYS B 10 28.896 1.976 -5.635 1.00 0.00 C ATOM 402 CE LYS B 10 28.247 0.676 -6.157 1.00 0.00 C ATOM 403 NZ LYS B 10 28.968 0.183 -7.365 1.00 0.00 N ATOM 0 H LYS B 10 30.130 0.911 -1.096 1.00 0.00 H new ATOM 0 HA LYS B 10 32.060 2.206 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS B 10 31.031 0.093 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS B 10 29.431 0.689 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS B 10 30.908 2.675 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS B 10 30.865 1.128 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS B 10 28.342 2.344 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS B 10 28.842 2.749 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS B 10 28.267 -0.086 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS B 10 27.200 0.857 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 28.316 -0.370 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 29.328 0.993 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 29.764 -0.419 -7.073 1.00 0.00 H new ATOM 417 N LYS B 11 30.943 4.366 -2.746 1.00 0.00 N ATOM 418 CA LYS B 11 30.428 5.805 -2.664 1.00 0.00 C ATOM 419 C LYS B 11 30.299 6.396 -1.192 1.00 0.00 C ATOM 420 O LYS B 11 29.207 6.674 -0.733 1.00 0.00 O ATOM 421 CB LYS B 11 29.011 5.942 -3.328 1.00 0.00 C ATOM 422 CG LYS B 11 28.954 5.394 -4.773 1.00 0.00 C ATOM 423 CD LYS B 11 29.309 6.519 -5.762 1.00 0.00 C ATOM 424 CE LYS B 11 29.223 5.997 -7.205 1.00 0.00 C ATOM 425 NZ LYS B 11 30.116 6.805 -8.083 1.00 0.00 N ATOM 0 H LYS B 11 31.954 4.337 -2.879 1.00 0.00 H new ATOM 0 HA LYS B 11 31.192 6.374 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS B 11 28.279 5.413 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS B 11 28.721 6.993 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS B 11 29.650 4.563 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS B 11 27.958 5.007 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS B 11 28.628 7.359 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS B 11 30.314 6.889 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS B 11 29.514 4.947 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS B 11 28.195 6.055 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 29.631 7.005 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 30.350 7.701 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 30.990 6.274 -8.272 1.00 0.00 H new ATOM 439 N GLY B 12 31.405 6.570 -0.488 1.00 0.00 N ATOM 440 CA GLY B 12 31.393 7.128 0.938 1.00 0.00 C ATOM 441 C GLY B 12 32.699 7.074 1.845 1.00 0.00 C ATOM 442 O GLY B 12 32.996 8.041 2.518 1.00 0.00 O ATOM 0 H GLY B 12 32.337 6.348 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY B 12 31.093 8.174 0.870 1.00 0.00 H new ATOM 0 HA3 GLY B 12 30.605 6.605 1.480 1.00 0.00 H new ATOM 446 N CYS B 13 33.431 5.975 1.845 1.00 0.00 N ATOM 447 CA CYS B 13 34.711 5.720 2.642 1.00 0.00 C ATOM 448 C CYS B 13 35.833 5.262 1.659 1.00 0.00 C ATOM 449 O CYS B 13 35.463 4.876 0.575 1.00 0.00 O ATOM 450 CB CYS B 13 34.349 4.639 3.637 1.00 0.00 C ATOM 451 SG CYS B 13 33.443 5.133 5.125 1.00 0.00 S ATOM 0 H CYS B 13 33.173 5.170 1.275 1.00 0.00 H new ATOM 0 HA CYS B 13 35.086 6.603 3.160 1.00 0.00 H new ATOM 0 HB2 CYS B 13 33.754 3.889 3.116 1.00 0.00 H new ATOM 0 HB3 CYS B 13 35.271 4.151 3.952 1.00 0.00 H new ATOM 456 N LYS B 14 37.131 5.268 1.929 1.00 0.00 N ATOM 457 CA LYS B 14 38.036 4.775 0.819 1.00 0.00 C ATOM 458 C LYS B 14 37.805 3.253 0.730 1.00 0.00 C ATOM 459 O LYS B 14 37.270 2.688 1.662 1.00 0.00 O ATOM 460 CB LYS B 14 39.519 5.101 1.138 1.00 0.00 C ATOM 461 CG LYS B 14 40.000 6.386 0.383 1.00 0.00 C ATOM 462 CD LYS B 14 38.967 7.569 0.405 1.00 0.00 C ATOM 463 CE LYS B 14 39.251 8.552 1.546 1.00 0.00 C ATOM 464 NZ LYS B 14 38.941 7.914 2.853 1.00 0.00 N ATOM 0 H LYS B 14 37.576 5.567 2.797 1.00 0.00 H new ATOM 0 HA LYS B 14 37.811 5.262 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS B 14 39.638 5.243 2.212 1.00 0.00 H new ATOM 0 HB3 LYS B 14 40.147 4.256 0.856 1.00 0.00 H new ATOM 0 HG2 LYS B 14 40.935 6.727 0.828 1.00 0.00 H new ATOM 0 HG3 LYS B 14 40.216 6.126 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS B 14 39.000 8.098 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS B 14 37.959 7.169 0.512 1.00 0.00 H new ATOM 0 HE2 LYS B 14 40.296 8.860 1.521 1.00 0.00 H new ATOM 0 HE3 LYS B 14 38.650 9.453 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 38.972 8.631 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 37.992 7.491 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 39.643 7.173 3.053 1.00 0.00 H new ATOM 478 N TYR B 15 38.197 2.621 -0.351 1.00 0.00 N ATOM 479 CA TYR B 15 37.973 1.137 -0.489 1.00 0.00 C ATOM 480 C TYR B 15 38.918 0.415 -1.395 1.00 0.00 C ATOM 481 O TYR B 15 39.181 0.850 -2.499 1.00 0.00 O ATOM 482 CB TYR B 15 36.586 0.816 -1.033 1.00 0.00 C ATOM 483 CG TYR B 15 35.643 1.075 0.103 1.00 0.00 C ATOM 484 CD1 TYR B 15 35.419 0.164 1.094 1.00 0.00 C ATOM 485 CD2 TYR B 15 35.020 2.274 0.147 1.00 0.00 C ATOM 486 CE1 TYR B 15 34.574 0.485 2.110 1.00 0.00 C ATOM 487 CE2 TYR B 15 34.170 2.597 1.167 1.00 0.00 C ATOM 488 CZ TYR B 15 33.940 1.685 2.171 1.00 0.00 C ATOM 489 OH TYR B 15 33.099 1.913 3.239 1.00 0.00 O ATOM 0 H TYR B 15 38.662 3.063 -1.144 1.00 0.00 H new ATOM 0 HA TYR B 15 38.125 0.795 0.535 1.00 0.00 H new ATOM 0 HB2 TYR B 15 36.347 1.442 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR B 15 36.525 -0.220 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR B 15 35.906 -0.799 1.072 1.00 0.00 H new ATOM 0 HD2 TYR B 15 35.198 2.991 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR B 15 34.401 -0.238 2.894 1.00 0.00 H new ATOM 0 HE2 TYR B 15 33.683 3.561 1.185 1.00 0.00 H new ATOM 0 HH TYR B 15 33.629 2.006 4.058 1.00 0.00 H new ATOM 499 N PHE B 16 39.315 -0.682 -0.803 1.00 0.00 N ATOM 500 CA PHE B 16 40.259 -1.697 -1.326 1.00 0.00 C ATOM 501 C PHE B 16 39.488 -3.041 -1.436 1.00 0.00 C ATOM 502 O PHE B 16 38.516 -3.248 -0.731 1.00 0.00 O ATOM 503 CB PHE B 16 41.405 -1.692 -0.296 1.00 0.00 C ATOM 504 CG PHE B 16 41.882 -0.237 -0.076 1.00 0.00 C ATOM 505 CD1 PHE B 16 41.174 0.598 0.776 1.00 0.00 C ATOM 506 CD2 PHE B 16 42.996 0.264 -0.721 1.00 0.00 C ATOM 507 CE1 PHE B 16 41.563 1.901 0.976 1.00 0.00 C ATOM 508 CE2 PHE B 16 43.386 1.573 -0.516 1.00 0.00 C ATOM 509 CZ PHE B 16 42.672 2.392 0.331 1.00 0.00 C ATOM 0 H PHE B 16 38.975 -0.928 0.127 1.00 0.00 H new ATOM 0 HA PHE B 16 40.667 -1.512 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE B 16 41.066 -2.123 0.646 1.00 0.00 H new ATOM 0 HB3 PHE B 16 42.231 -2.309 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE B 16 40.303 0.218 1.290 1.00 0.00 H new ATOM 0 HD2 PHE B 16 43.563 -0.369 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE B 16 40.997 2.538 1.640 1.00 0.00 H new ATOM 0 HE2 PHE B 16 44.258 1.958 -1.024 1.00 0.00 H new ATOM 0 HZ PHE B 16 42.983 3.415 0.487 1.00 0.00 H new ATOM 519 N SER B 17 39.928 -3.911 -2.315 1.00 0.00 N ATOM 520 CA SER B 17 39.244 -5.241 -2.495 1.00 0.00 C ATOM 521 C SER B 17 40.206 -6.424 -2.355 1.00 0.00 C ATOM 522 O SER B 17 41.346 -6.327 -2.755 1.00 0.00 O ATOM 523 CB SER B 17 38.591 -5.327 -3.898 1.00 0.00 C ATOM 524 OG SER B 17 37.249 -4.907 -3.713 1.00 0.00 O ATOM 0 H SER B 17 40.735 -3.760 -2.920 1.00 0.00 H new ATOM 0 HA SER B 17 38.494 -5.303 -1.707 1.00 0.00 H new ATOM 0 HB2 SER B 17 39.108 -4.687 -4.612 1.00 0.00 H new ATOM 0 HB3 SER B 17 38.635 -6.343 -4.290 1.00 0.00 H new ATOM 0 HG SER B 17 36.776 -4.937 -4.571 1.00 0.00 H new ATOM 530 N ASP B 18 39.658 -7.477 -1.792 1.00 0.00 N ATOM 531 CA ASP B 18 40.303 -8.797 -1.507 1.00 0.00 C ATOM 532 C ASP B 18 41.697 -8.706 -0.878 1.00 0.00 C ATOM 533 O ASP B 18 41.918 -9.013 0.277 1.00 0.00 O ATOM 534 CB ASP B 18 40.336 -9.580 -2.859 1.00 0.00 C ATOM 535 CG ASP B 18 41.302 -10.779 -2.795 1.00 0.00 C ATOM 536 OD1 ASP B 18 40.932 -11.741 -2.141 1.00 0.00 O ATOM 537 OD2 ASP B 18 42.355 -10.663 -3.402 1.00 0.00 O ATOM 0 H ASP B 18 38.684 -7.462 -1.490 1.00 0.00 H new ATOM 0 HA ASP B 18 39.715 -9.315 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP B 18 39.333 -9.932 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP B 18 40.641 -8.909 -3.662 1.00 0.00 H new ATOM 542 N ASP B 19 42.571 -8.270 -1.729 1.00 0.00 N ATOM 543 CA ASP B 19 44.017 -8.079 -1.411 1.00 0.00 C ATOM 544 C ASP B 19 44.290 -6.610 -1.066 1.00 0.00 C ATOM 545 O ASP B 19 44.864 -6.300 -0.040 1.00 0.00 O ATOM 546 CB ASP B 19 44.844 -8.519 -2.647 1.00 0.00 C ATOM 547 CG ASP B 19 44.403 -7.739 -3.908 1.00 0.00 C ATOM 548 OD1 ASP B 19 43.363 -8.086 -4.446 1.00 0.00 O ATOM 549 OD2 ASP B 19 45.135 -6.829 -4.263 1.00 0.00 O ATOM 0 H ASP B 19 42.332 -8.023 -2.689 1.00 0.00 H new ATOM 0 HA ASP B 19 44.300 -8.680 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP B 19 45.904 -8.348 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP B 19 44.718 -9.589 -2.813 1.00 0.00 H new ATOM 554 N GLY B 20 43.857 -5.758 -1.957 1.00 0.00 N ATOM 555 CA GLY B 20 44.029 -4.289 -1.800 1.00 0.00 C ATOM 556 C GLY B 20 43.655 -3.561 -3.100 1.00 0.00 C ATOM 557 O GLY B 20 43.915 -2.380 -3.231 1.00 0.00 O ATOM 0 H GLY B 20 43.376 -6.032 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY B 20 43.404 -3.929 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY B 20 45.062 -4.064 -1.535 1.00 0.00 H new ATOM 561 N THR B 21 43.058 -4.281 -4.022 1.00 0.00 N ATOM 562 CA THR B 21 42.644 -3.688 -5.333 1.00 0.00 C ATOM 563 C THR B 21 41.586 -2.602 -5.090 1.00 0.00 C ATOM 564 O THR B 21 40.445 -2.896 -4.798 1.00 0.00 O ATOM 565 CB THR B 21 42.070 -4.813 -6.239 1.00 0.00 C ATOM 566 OG1 THR B 21 41.399 -5.726 -5.380 1.00 0.00 O ATOM 567 CG2 THR B 21 43.196 -5.643 -6.886 1.00 0.00 C ATOM 0 H THR B 21 42.837 -5.271 -3.918 1.00 0.00 H new ATOM 0 HA THR B 21 43.503 -3.235 -5.828 1.00 0.00 H new ATOM 0 HB THR B 21 41.443 -4.357 -7.005 1.00 0.00 H new ATOM 0 HG1 THR B 21 41.987 -6.486 -5.187 1.00 0.00 H new ATOM 0 HG21 THR B 21 42.760 -6.421 -7.513 1.00 0.00 H new ATOM 0 HG22 THR B 21 43.822 -4.993 -7.497 1.00 0.00 H new ATOM 0 HG23 THR B 21 43.803 -6.103 -6.106 1.00 0.00 H new ATOM 575 N PHE B 22 42.005 -1.371 -5.223 1.00 0.00 N ATOM 576 CA PHE B 22 41.089 -0.208 -5.010 1.00 0.00 C ATOM 577 C PHE B 22 39.784 -0.203 -5.840 1.00 0.00 C ATOM 578 O PHE B 22 39.741 -0.703 -6.947 1.00 0.00 O ATOM 579 CB PHE B 22 41.888 1.078 -5.297 1.00 0.00 C ATOM 580 CG PHE B 22 41.116 2.223 -4.641 1.00 0.00 C ATOM 581 CD1 PHE B 22 41.328 2.534 -3.310 1.00 0.00 C ATOM 582 CD2 PHE B 22 40.183 2.932 -5.372 1.00 0.00 C ATOM 583 CE1 PHE B 22 40.610 3.545 -2.712 1.00 0.00 C ATOM 584 CE2 PHE B 22 39.469 3.938 -4.776 1.00 0.00 C ATOM 585 CZ PHE B 22 39.685 4.236 -3.459 1.00 0.00 C ATOM 0 H PHE B 22 42.960 -1.117 -5.475 1.00 0.00 H new ATOM 0 HA PHE B 22 40.746 -0.280 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE B 22 42.897 1.007 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE B 22 41.988 1.242 -6.370 1.00 0.00 H new ATOM 0 HD1 PHE B 22 42.059 1.982 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE B 22 40.016 2.694 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE B 22 40.771 3.792 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE B 22 38.738 4.494 -5.344 1.00 0.00 H new ATOM 0 HZ PHE B 22 39.118 5.030 -2.996 1.00 0.00 H new ATOM 595 N ILE B 23 38.764 0.378 -5.244 1.00 0.00 N ATOM 596 CA ILE B 23 37.408 0.495 -5.874 1.00 0.00 C ATOM 597 C ILE B 23 36.716 1.830 -5.520 1.00 0.00 C ATOM 598 O ILE B 23 36.138 2.417 -6.416 1.00 0.00 O ATOM 599 CB ILE B 23 36.437 -0.646 -5.413 1.00 0.00 C ATOM 600 CG1 ILE B 23 37.178 -1.939 -5.004 1.00 0.00 C ATOM 601 CG2 ILE B 23 35.459 -0.974 -6.563 1.00 0.00 C ATOM 602 CD1 ILE B 23 37.706 -1.775 -3.576 1.00 0.00 C ATOM 0 H ILE B 23 38.821 0.790 -4.313 1.00 0.00 H new ATOM 0 HA ILE B 23 37.594 0.429 -6.946 1.00 0.00 H new ATOM 0 HB ILE B 23 35.907 -0.281 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE B 23 36.504 -2.794 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE B 23 38.002 -2.135 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE B 23 34.781 -1.767 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE B 23 34.884 -0.084 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE B 23 36.022 -1.303 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE B 23 38.231 -2.682 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE B 23 38.392 -0.929 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE B 23 36.871 -1.598 -2.898 1.00 0.00 H new ATOM 614 N CYS B 24 36.763 2.296 -4.281 1.00 0.00 N ATOM 615 CA CYS B 24 36.053 3.619 -4.014 1.00 0.00 C ATOM 616 C CYS B 24 36.680 4.509 -2.979 1.00 0.00 C ATOM 617 O CYS B 24 36.916 4.105 -1.867 1.00 0.00 O ATOM 618 CB CYS B 24 34.530 3.413 -3.558 1.00 0.00 C ATOM 619 SG CYS B 24 33.805 4.474 -2.257 1.00 0.00 S ATOM 0 H CYS B 24 37.228 1.857 -3.486 1.00 0.00 H new ATOM 0 HA CYS B 24 36.134 4.109 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS B 24 33.909 3.523 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS B 24 34.430 2.380 -3.225 1.00 0.00 H new ATOM 624 N GLU B 25 36.921 5.718 -3.413 1.00 0.00 N ATOM 625 CA GLU B 25 37.537 6.781 -2.564 1.00 0.00 C ATOM 626 C GLU B 25 36.426 7.432 -1.755 1.00 0.00 C ATOM 627 O GLU B 25 36.379 8.639 -1.607 1.00 0.00 O ATOM 628 CB GLU B 25 38.236 7.795 -3.512 1.00 0.00 C ATOM 629 CG GLU B 25 37.188 8.359 -4.511 1.00 0.00 C ATOM 630 CD GLU B 25 37.840 9.271 -5.557 1.00 0.00 C ATOM 631 OE1 GLU B 25 38.464 8.715 -6.446 1.00 0.00 O ATOM 632 OE2 GLU B 25 37.674 10.472 -5.408 1.00 0.00 O ATOM 0 H GLU B 25 36.706 6.024 -4.362 1.00 0.00 H new ATOM 0 HA GLU B 25 38.280 6.386 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU B 25 38.680 8.606 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU B 25 39.047 7.307 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU B 25 36.681 7.534 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU B 25 36.427 8.916 -3.965 1.00 0.00 H new ATOM 639 N GLY B 26 35.567 6.593 -1.236 1.00 0.00 N ATOM 640 CA GLY B 26 34.432 7.085 -0.438 1.00 0.00 C ATOM 641 C GLY B 26 33.662 8.223 -1.107 1.00 0.00 C ATOM 642 O GLY B 26 33.611 9.326 -0.600 1.00 0.00 O ATOM 0 H GLY B 26 35.614 5.579 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY B 26 33.748 6.258 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY B 26 34.800 7.426 0.530 1.00 0.00 H new ATOM 646 N GLU B 27 33.095 7.854 -2.230 1.00 0.00 N ATOM 647 CA GLU B 27 32.270 8.754 -3.120 1.00 0.00 C ATOM 648 C GLU B 27 32.339 8.265 -4.582 1.00 0.00 C ATOM 649 O GLU B 27 31.714 8.845 -5.449 1.00 0.00 O ATOM 650 CB GLU B 27 32.772 10.246 -3.108 1.00 0.00 C ATOM 651 CG GLU B 27 34.299 10.332 -3.332 1.00 0.00 C ATOM 652 CD GLU B 27 34.627 10.784 -4.767 1.00 0.00 C ATOM 653 OE1 GLU B 27 34.576 9.929 -5.636 1.00 0.00 O ATOM 654 OE2 GLU B 27 34.912 11.960 -4.918 1.00 0.00 O ATOM 0 H GLU B 27 33.174 6.904 -2.592 1.00 0.00 H new ATOM 0 HA GLU B 27 31.254 8.715 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU B 27 32.257 10.810 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU B 27 32.516 10.709 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU B 27 34.735 11.032 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU B 27 34.752 9.359 -3.142 1.00 0.00 H new ATOM 661 N SER B 28 33.095 7.218 -4.812 1.00 0.00 N ATOM 662 CA SER B 28 33.247 6.644 -6.193 1.00 0.00 C ATOM 663 C SER B 28 32.431 5.346 -6.334 1.00 0.00 C ATOM 664 O SER B 28 32.223 4.953 -7.470 1.00 0.00 O ATOM 665 CB SER B 28 34.732 6.343 -6.454 1.00 0.00 C ATOM 666 OG SER B 28 35.240 7.532 -7.042 1.00 0.00 O ATOM 667 OXT SER B 28 32.061 4.816 -5.301 1.00 0.00 O ATOM 0 H SER B 28 33.623 6.727 -4.091 1.00 0.00 H new ATOM 0 HA SER B 28 32.878 7.369 -6.918 1.00 0.00 H new ATOM 0 HB2 SER B 28 35.256 6.103 -5.529 1.00 0.00 H new ATOM 0 HB3 SER B 28 34.852 5.489 -7.120 1.00 0.00 H new ATOM 0 HG SER B 28 34.969 8.305 -6.504 1.00 0.00 H new TER 673 SER B 28 CONECT 40 373 CONECT 97 325 CONECT 230 451 CONECT 325 97 CONECT 363 619 CONECT 373 40 CONECT 451 230 CONECT 619 363 END