USER MOD reduce.3.24.130724 H: found=0, std=0, add=204, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 202 hydrogens (0 hets) HEADER MEMBRANE PROTEIN 10-JAN-03 1NMJ TITLE THE SOLUTION STRUCTURE OF RAT AB-(1-28) AND ITS INTERACTION TITLE 2 WITH ZINC: INSIGHTS INTO THE SCARITY OF AMYLOID DEPOSITION TITLE 3 IN AGED RAT BRAIN CAVEAT 1NMJ THERE ARE SEVERAL CHIRALITY ERRORS AT THE CA CAVEAT 2 1NMJ CENTER. COMPND MOL_ID: 1; COMPND 2 MOLECULE: AMYLOID BETA-PEPTIDE FROM ALZHEIMER'S DISEASE COMPND 3 AMYLOID A4 PROTEIN HOMOLOG; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS GLYCOPROTEIN, AMYLOID, MEMBRANE PROTEIN EXPDTA SOLUTION NMR AUTHOR J.HUANG,Y.YAO,W.X.TANG REVDAT 3 24-FEB-09 1NMJ 1 VERSN REVDAT 2 03-MAY-05 1NMJ 1 AUTHOR JRNL REVDAT 1 28-JAN-03 1NMJ 0 JRNL AUTH J.HUANG,Y.YAO,J.LIN,Y.H.YE,W.Y.SUN,W.X.TANG JRNL TITL THE SOLUTION STRUCTURE OF RAT ABETA-(1-28) AND ITS JRNL TITL 2 INTERACTION WITH ZINC ION: INSIGHTS INTO THE JRNL TITL 3 SCARCITY OF AMYLOID DEPOSITION IN AGED RAT BRAIN JRNL REF J.BIOL.INORG.CHEM. V. 9 627 2004 JRNL REFN ISSN 0949-8257 JRNL PMID 15160315 JRNL DOI 10.1007/S00775-004-0556-X 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 1NMJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JAN-03. REMARK 100 THE RCSB ID CODE IS RCSB018005. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2MM RAT AB-(1-28) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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 GLU A 3 46.03 -72.57 REMARK 500 PHE A 10 -79.42 1.33 REMARK 500 VAL A 12 -75.42 37.01 REMARK 500 ARG A 13 33.17 -70.51 REMARK 500 HIS A 14 12.07 54.72 REMARK 500 GLN A 15 -62.88 58.60 REMARK 500 PHE A 19 -82.56 -77.65 REMARK 500 ASN A 27 -103.56 -0.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 SER A 26 ASN A 27 148.25 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASP A 1 125.3 ALPHA-CARBON REMARK 500 ASN A 27 139.5 ALPHA-CARBON REMARK 500 LYS A 28 121.8 ALPHA-CARBON REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AMB RELATED DB: PDB REMARK 900 RELATED ID: 1AMC RELATED DB: PDB REMARK 900 RELATED ID: 1BJB RELATED DB: PDB REMARK 900 RELATED ID: 1BJC RELATED DB: PDB DBREF 1NMJ A 1 28 UNP P08592 A4_RAT 672 699 SEQRES 1 A 28 ASP ALA GLU PHE GLY HIS ASP SER GLY PHE GLU VAL ARG SEQRES 2 A 28 HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER SEQRES 3 A 28 ASN LYS HELIX 1 1 GLN A 15 GLY A 25 1 11 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 Single : A 1 ASP N :NH3+ 154:sc= 2.29 (180deg=1.77) USER MOD Single : A 6 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=0) USER MOD Single : A 8 SER OG : rot -27:sc= 1.21 USER MOD Single : A 14 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.36) USER MOD Single : A 15 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.075 USER MOD Single : A 27 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.087) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= 1.22 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.025 -15.249 4.435 1.00 10.00 N ATOM 2 CA ASP A 1 9.762 -14.150 3.792 1.00 10.00 C ATOM 3 C ASP A 1 8.818 -13.361 2.878 1.00 10.00 C ATOM 4 O ASP A 1 8.130 -12.439 3.306 1.00 10.00 O ATOM 5 CB ASP A 1 10.452 -13.266 4.838 1.00 10.00 C ATOM 6 CG ASP A 1 9.486 -12.716 5.880 1.00 10.00 C ATOM 7 OD1 ASP A 1 8.532 -13.469 6.190 1.00 10.00 O ATOM 8 OD2 ASP A 1 9.729 -11.590 6.355 1.00 10.00 O ATOM 0 H1 ASP A 1 9.686 -16.014 4.679 1.00 10.00 H new ATOM 0 H2 ASP A 1 8.565 -14.899 5.300 1.00 10.00 H new ATOM 0 H3 ASP A 1 8.302 -15.612 3.781 1.00 10.00 H new ATOM 0 HA ASP A 1 10.557 -14.560 3.169 1.00 10.00 H new ATOM 0 HB2 ASP A 1 11.229 -13.844 5.339 1.00 10.00 H new ATOM 0 HB3 ASP A 1 10.947 -12.436 4.335 1.00 10.00 H new ATOM 15 N ALA A 2 8.756 -13.757 1.604 1.00 10.00 N ATOM 16 CA ALA A 2 7.804 -13.220 0.645 1.00 10.00 C ATOM 17 C ALA A 2 6.369 -13.502 1.097 1.00 10.00 C ATOM 18 O ALA A 2 5.467 -12.694 0.887 1.00 10.00 O ATOM 19 CB ALA A 2 8.070 -13.830 -0.733 1.00 10.00 C ATOM 0 H ALA A 2 9.374 -14.467 1.211 1.00 10.00 H new ATOM 0 HA ALA A 2 7.928 -12.139 0.583 1.00 10.00 H new ATOM 0 HB1 ALA A 2 7.357 -13.428 -1.453 1.00 10.00 H new ATOM 0 HB2 ALA A 2 9.083 -13.584 -1.050 1.00 10.00 H new ATOM 0 HB3 ALA A 2 7.960 -14.913 -0.679 1.00 10.00 H new ATOM 25 N GLU A 3 6.177 -14.654 1.741 1.00 10.00 N ATOM 26 CA GLU A 3 4.936 -15.199 2.267 1.00 10.00 C ATOM 27 C GLU A 3 4.475 -14.438 3.518 1.00 10.00 C ATOM 28 O GLU A 3 4.144 -15.037 4.539 1.00 10.00 O ATOM 29 CB GLU A 3 5.201 -16.664 2.638 1.00 10.00 C ATOM 30 CG GLU A 3 6.006 -17.471 1.597 1.00 10.00 C ATOM 31 CD GLU A 3 7.510 -17.512 1.875 1.00 10.00 C ATOM 32 OE1 GLU A 3 8.042 -16.474 2.338 1.00 10.00 O ATOM 33 OE2 GLU A 3 8.115 -18.574 1.632 1.00 10.00 O ATOM 0 H GLU A 3 6.960 -15.282 1.921 1.00 10.00 H new ATOM 0 HA GLU A 3 4.151 -15.108 1.516 1.00 10.00 H new ATOM 0 HB2 GLU A 3 5.736 -16.691 3.587 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.244 -17.160 2.798 1.00 10.00 H new ATOM 0 HG2 GLU A 3 5.624 -18.491 1.568 1.00 10.00 H new ATOM 0 HG3 GLU A 3 5.840 -17.040 0.610 1.00 10.00 H new ATOM 40 N PHE A 4 4.508 -13.112 3.460 1.00 10.00 N ATOM 41 CA PHE A 4 4.533 -12.271 4.643 1.00 10.00 C ATOM 42 C PHE A 4 3.189 -12.294 5.370 1.00 10.00 C ATOM 43 O PHE A 4 3.138 -12.369 6.595 1.00 10.00 O ATOM 44 CB PHE A 4 4.965 -10.868 4.220 1.00 10.00 C ATOM 45 CG PHE A 4 5.412 -9.988 5.367 1.00 10.00 C ATOM 46 CD1 PHE A 4 6.698 -10.168 5.908 1.00 10.00 C ATOM 47 CD2 PHE A 4 4.549 -9.025 5.922 1.00 10.00 C ATOM 48 CE1 PHE A 4 7.129 -9.381 6.987 1.00 10.00 C ATOM 49 CE2 PHE A 4 4.983 -8.230 6.999 1.00 10.00 C ATOM 50 CZ PHE A 4 6.274 -8.406 7.530 1.00 10.00 C ATOM 0 H PHE A 4 4.518 -12.590 2.584 1.00 10.00 H new ATOM 0 HA PHE A 4 5.254 -12.651 5.367 1.00 10.00 H new ATOM 0 HB2 PHE A 4 5.780 -10.952 3.501 1.00 10.00 H new ATOM 0 HB3 PHE A 4 4.135 -10.383 3.706 1.00 10.00 H new ATOM 0 HD1 PHE A 4 7.357 -10.915 5.491 1.00 10.00 H new ATOM 0 HD2 PHE A 4 3.554 -8.896 5.522 1.00 10.00 H new ATOM 0 HE1 PHE A 4 8.117 -9.524 7.400 1.00 10.00 H new ATOM 0 HE2 PHE A 4 4.324 -7.484 7.418 1.00 10.00 H new ATOM 0 HZ PHE A 4 6.608 -7.793 8.354 1.00 10.00 H new ATOM 60 N GLY A 5 2.093 -12.255 4.610 1.00 10.00 N ATOM 61 CA GLY A 5 0.758 -12.424 5.102 1.00 10.00 C ATOM 62 C GLY A 5 -0.246 -12.151 3.991 1.00 10.00 C ATOM 63 O GLY A 5 0.124 -11.608 2.952 1.00 10.00 O ATOM 0 H GLY A 5 2.130 -12.099 3.603 1.00 10.00 H new ATOM 0 HA2 GLY A 5 0.627 -13.438 5.480 1.00 10.00 H new ATOM 0 HA3 GLY A 5 0.581 -11.747 5.937 1.00 10.00 H new ATOM 67 N HIS A 6 -1.498 -12.562 4.212 1.00 10.00 N ATOM 68 CA HIS A 6 -2.618 -12.380 3.300 1.00 10.00 C ATOM 69 C HIS A 6 -3.647 -11.466 3.958 1.00 10.00 C ATOM 70 O HIS A 6 -4.027 -10.440 3.402 1.00 10.00 O ATOM 71 CB HIS A 6 -3.216 -13.745 2.945 1.00 10.00 C ATOM 72 CG HIS A 6 -2.263 -14.697 2.262 1.00 10.00 C ATOM 73 ND1 HIS A 6 -2.332 -16.071 2.307 1.00 10.00 N ATOM 74 CD2 HIS A 6 -1.168 -14.368 1.501 1.00 10.00 C ATOM 75 CE1 HIS A 6 -1.304 -16.556 1.592 1.00 10.00 C ATOM 76 NE2 HIS A 6 -0.566 -15.557 1.081 1.00 10.00 N ATOM 0 H HIS A 6 -1.764 -13.050 5.067 1.00 10.00 H new ATOM 0 HA HIS A 6 -2.286 -11.912 2.373 1.00 10.00 H new ATOM 0 HB2 HIS A 6 -3.583 -14.214 3.858 1.00 10.00 H new ATOM 0 HB3 HIS A 6 -4.079 -13.590 2.297 1.00 10.00 H new ATOM 0 HD2 HIS A 6 -0.832 -13.368 1.269 1.00 10.00 H new ATOM 0 HE1 HIS A 6 -1.099 -17.606 1.448 1.00 10.00 H new ATOM 0 HE2 HIS A 6 0.268 -15.648 0.501 1.00 10.00 H new ATOM 84 N ASP A 7 -4.034 -11.834 5.184 1.00 10.00 N ATOM 85 CA ASP A 7 -4.506 -10.924 6.219 1.00 10.00 C ATOM 86 C ASP A 7 -3.819 -9.560 6.094 1.00 10.00 C ATOM 87 O ASP A 7 -4.456 -8.507 6.023 1.00 10.00 O ATOM 88 CB ASP A 7 -4.170 -11.564 7.583 1.00 10.00 C ATOM 89 CG ASP A 7 -3.904 -10.532 8.678 1.00 10.00 C ATOM 90 OD1 ASP A 7 -4.898 -10.053 9.261 1.00 10.00 O ATOM 91 OD2 ASP A 7 -2.706 -10.231 8.885 1.00 10.00 O ATOM 0 H ASP A 7 -4.025 -12.808 5.488 1.00 10.00 H new ATOM 0 HA ASP A 7 -5.579 -10.762 6.120 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -4.995 -12.206 7.890 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -3.293 -12.202 7.472 1.00 10.00 H new ATOM 96 N SER A 8 -2.490 -9.603 6.127 1.00 10.00 N ATOM 97 CA SER A 8 -1.724 -8.433 6.469 1.00 10.00 C ATOM 98 C SER A 8 -1.723 -7.432 5.338 1.00 10.00 C ATOM 99 O SER A 8 -1.615 -7.785 4.167 1.00 10.00 O ATOM 100 CB SER A 8 -0.299 -8.824 6.804 1.00 10.00 C ATOM 101 OG SER A 8 -0.331 -9.953 7.663 1.00 10.00 O ATOM 0 H SER A 8 -1.935 -10.434 5.921 1.00 10.00 H new ATOM 0 HA SER A 8 -2.189 -7.969 7.339 1.00 10.00 H new ATOM 0 HB2 SER A 8 0.254 -9.056 5.894 1.00 10.00 H new ATOM 0 HB3 SER A 8 0.217 -7.995 7.288 1.00 10.00 H new ATOM 0 HG SER A 8 -1.169 -9.954 8.171 1.00 10.00 H new ATOM 107 N GLY A 9 -1.803 -6.161 5.713 1.00 10.00 N ATOM 108 CA GLY A 9 -1.811 -5.098 4.739 1.00 10.00 C ATOM 109 C GLY A 9 -3.042 -5.120 3.853 1.00 10.00 C ATOM 110 O GLY A 9 -3.038 -4.594 2.743 1.00 10.00 O ATOM 0 H GLY A 9 -1.863 -5.851 6.683 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -1.757 -4.139 5.254 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -0.920 -5.176 4.116 1.00 10.00 H new ATOM 114 N PHE A 10 -4.098 -5.667 4.443 1.00 10.00 N ATOM 115 CA PHE A 10 -5.438 -5.841 3.993 1.00 10.00 C ATOM 116 C PHE A 10 -5.760 -5.351 2.577 1.00 10.00 C ATOM 117 O PHE A 10 -5.805 -6.154 1.646 1.00 10.00 O ATOM 118 CB PHE A 10 -6.336 -5.341 5.128 1.00 10.00 C ATOM 119 CG PHE A 10 -6.397 -3.840 5.362 1.00 10.00 C ATOM 120 CD1 PHE A 10 -5.273 -3.144 5.848 1.00 10.00 C ATOM 121 CD2 PHE A 10 -7.570 -3.128 5.052 1.00 10.00 C ATOM 122 CE1 PHE A 10 -5.298 -1.743 5.953 1.00 10.00 C ATOM 123 CE2 PHE A 10 -7.598 -1.727 5.166 1.00 10.00 C ATOM 124 CZ PHE A 10 -6.461 -1.034 5.612 1.00 10.00 C ATOM 0 H PHE A 10 -3.997 -6.047 5.384 1.00 10.00 H new ATOM 0 HA PHE A 10 -5.636 -6.897 3.810 1.00 10.00 H new ATOM 0 HB2 PHE A 10 -7.349 -5.693 4.936 1.00 10.00 H new ATOM 0 HB3 PHE A 10 -6.004 -5.813 6.053 1.00 10.00 H new ATOM 0 HD1 PHE A 10 -4.388 -3.689 6.141 1.00 10.00 H new ATOM 0 HD2 PHE A 10 -8.452 -3.659 4.725 1.00 10.00 H new ATOM 0 HE1 PHE A 10 -4.423 -1.212 6.296 1.00 10.00 H new ATOM 0 HE2 PHE A 10 -8.495 -1.183 4.910 1.00 10.00 H new ATOM 0 HZ PHE A 10 -6.481 0.043 5.693 1.00 10.00 H new ATOM 134 N GLU A 11 -5.965 -4.047 2.391 1.00 10.00 N ATOM 135 CA GLU A 11 -6.131 -3.436 1.078 1.00 10.00 C ATOM 136 C GLU A 11 -4.784 -3.375 0.348 1.00 10.00 C ATOM 137 O GLU A 11 -4.286 -2.281 0.075 1.00 10.00 O ATOM 138 CB GLU A 11 -6.758 -2.052 1.244 1.00 10.00 C ATOM 139 CG GLU A 11 -8.263 -2.125 1.536 1.00 10.00 C ATOM 140 CD GLU A 11 -8.872 -0.733 1.648 1.00 10.00 C ATOM 141 OE1 GLU A 11 -8.738 0.023 0.661 1.00 10.00 O ATOM 142 OE2 GLU A 11 -9.429 -0.435 2.725 1.00 10.00 O ATOM 0 H GLU A 11 -6.021 -3.379 3.160 1.00 10.00 H new ATOM 0 HA GLU A 11 -6.800 -4.040 0.465 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -6.258 -1.524 2.056 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -6.594 -1.470 0.337 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -8.763 -2.681 0.743 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.430 -2.673 2.463 1.00 10.00 H new ATOM 149 N VAL A 12 -4.237 -4.557 0.025 1.00 10.00 N ATOM 150 CA VAL A 12 -2.998 -4.866 -0.689 1.00 10.00 C ATOM 151 C VAL A 12 -1.858 -3.898 -0.358 1.00 10.00 C ATOM 152 O VAL A 12 -0.959 -4.203 0.419 1.00 10.00 O ATOM 153 CB VAL A 12 -3.275 -4.987 -2.202 1.00 10.00 C ATOM 154 CG1 VAL A 12 -2.014 -5.420 -2.962 1.00 10.00 C ATOM 155 CG2 VAL A 12 -4.383 -6.016 -2.472 1.00 10.00 C ATOM 0 H VAL A 12 -4.713 -5.418 0.292 1.00 10.00 H new ATOM 0 HA VAL A 12 -2.641 -5.834 -0.339 1.00 10.00 H new ATOM 0 HB VAL A 12 -3.590 -4.003 -2.551 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.239 -5.497 -4.026 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -1.226 -4.682 -2.810 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -1.680 -6.389 -2.591 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -4.562 -6.085 -3.545 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -4.075 -6.990 -2.092 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -5.299 -5.704 -1.971 1.00 10.00 H new ATOM 165 N ARG A 13 -1.926 -2.690 -0.910 1.00 10.00 N ATOM 166 CA ARG A 13 -1.106 -1.545 -0.580 1.00 10.00 C ATOM 167 C ARG A 13 -1.437 -0.965 0.805 1.00 10.00 C ATOM 168 O ARG A 13 -1.358 0.250 1.008 1.00 10.00 O ATOM 169 CB ARG A 13 -1.331 -0.508 -1.687 1.00 10.00 C ATOM 170 CG ARG A 13 -0.496 -0.752 -2.955 1.00 10.00 C ATOM 171 CD ARG A 13 -0.684 0.454 -3.888 1.00 10.00 C ATOM 172 NE ARG A 13 0.157 0.411 -5.099 1.00 10.00 N ATOM 173 CZ ARG A 13 0.317 1.460 -5.932 1.00 10.00 C ATOM 174 NH1 ARG A 13 -0.184 2.651 -5.604 1.00 10.00 N ATOM 175 NH2 ARG A 13 0.968 1.322 -7.091 1.00 10.00 N ATOM 0 H ARG A 13 -2.600 -2.479 -1.646 1.00 10.00 H new ATOM 0 HA ARG A 13 -0.058 -1.840 -0.524 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -2.387 -0.503 -1.956 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -1.097 0.482 -1.296 1.00 10.00 H new ATOM 0 HG2 ARG A 13 0.556 -0.876 -2.700 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -0.814 -1.670 -3.450 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -1.731 0.510 -4.187 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -0.461 1.367 -3.335 1.00 10.00 H new ATOM 0 HE ARG A 13 0.644 -0.458 -5.318 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -0.687 2.768 -4.725 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -0.064 3.445 -6.232 1.00 10.00 H new ATOM 0 HH21 ARG A 13 1.351 0.415 -7.356 1.00 10.00 H new ATOM 0 HH22 ARG A 13 1.081 2.124 -7.711 1.00 10.00 H new ATOM 189 N HIS A 14 -1.829 -1.806 1.769 1.00 10.00 N ATOM 190 CA HIS A 14 -2.163 -1.395 3.128 1.00 10.00 C ATOM 191 C HIS A 14 -3.237 -0.301 3.160 1.00 10.00 C ATOM 192 O HIS A 14 -3.438 0.319 4.198 1.00 10.00 O ATOM 193 CB HIS A 14 -0.871 -0.981 3.833 1.00 10.00 C ATOM 194 CG HIS A 14 0.170 -2.072 3.932 1.00 10.00 C ATOM 195 ND1 HIS A 14 0.530 -2.745 5.079 1.00 10.00 N ATOM 196 CD2 HIS A 14 0.985 -2.515 2.923 1.00 10.00 C ATOM 197 CE1 HIS A 14 1.532 -3.583 4.760 1.00 10.00 C ATOM 198 NE2 HIS A 14 1.847 -3.474 3.460 1.00 10.00 N ATOM 0 H HIS A 14 -1.923 -2.810 1.618 1.00 10.00 H new ATOM 0 HA HIS A 14 -2.609 -2.233 3.664 1.00 10.00 H new ATOM 0 HB2 HIS A 14 -0.439 -0.132 3.303 1.00 10.00 H new ATOM 0 HB3 HIS A 14 -1.115 -0.638 4.838 1.00 10.00 H new ATOM 0 HD2 HIS A 14 0.964 -2.182 1.896 1.00 10.00 H new ATOM 0 HE1 HIS A 14 2.017 -4.252 5.455 1.00 10.00 H new ATOM 0 HE2 HIS A 14 2.573 -3.990 2.962 1.00 10.00 H new ATOM 206 N GLN A 15 -3.900 -0.036 2.035 1.00 10.00 N ATOM 207 CA GLN A 15 -4.662 1.180 1.760 1.00 10.00 C ATOM 208 C GLN A 15 -3.801 2.447 1.855 1.00 10.00 C ATOM 209 O GLN A 15 -3.636 3.163 0.867 1.00 10.00 O ATOM 210 CB GLN A 15 -5.951 1.238 2.601 1.00 10.00 C ATOM 211 CG GLN A 15 -6.698 2.578 2.595 1.00 10.00 C ATOM 212 CD GLN A 15 -6.178 3.582 3.624 1.00 10.00 C ATOM 213 OE1 GLN A 15 -5.636 3.210 4.663 1.00 10.00 O ATOM 214 NE2 GLN A 15 -6.318 4.874 3.345 1.00 10.00 N ATOM 0 H GLN A 15 -3.921 -0.694 1.255 1.00 10.00 H new ATOM 0 HA GLN A 15 -4.983 1.140 0.719 1.00 10.00 H new ATOM 0 HB2 GLN A 15 -6.630 0.464 2.243 1.00 10.00 H new ATOM 0 HB3 GLN A 15 -5.700 0.989 3.632 1.00 10.00 H new ATOM 0 HG2 GLN A 15 -6.624 3.020 1.601 1.00 10.00 H new ATOM 0 HG3 GLN A 15 -7.756 2.394 2.784 1.00 10.00 H new ATOM 0 HE21 GLN A 15 -6.771 5.162 2.478 1.00 10.00 H new ATOM 0 HE22 GLN A 15 -5.973 5.577 3.998 1.00 10.00 H new ATOM 223 N LYS A 16 -3.250 2.760 3.029 1.00 10.00 N ATOM 224 CA LYS A 16 -2.597 4.044 3.258 1.00 10.00 C ATOM 225 C LYS A 16 -1.443 4.328 2.297 1.00 10.00 C ATOM 226 O LYS A 16 -1.031 5.477 2.210 1.00 10.00 O ATOM 227 CB LYS A 16 -2.254 4.295 4.741 1.00 10.00 C ATOM 228 CG LYS A 16 -1.004 3.596 5.302 1.00 10.00 C ATOM 229 CD LYS A 16 -1.126 2.073 5.432 1.00 10.00 C ATOM 230 CE LYS A 16 -2.257 1.579 6.354 1.00 10.00 C ATOM 231 NZ LYS A 16 -2.119 2.057 7.743 1.00 10.00 N ATOM 0 H LYS A 16 -3.245 2.137 3.837 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.346 4.796 3.010 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -2.132 5.369 4.882 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.110 3.989 5.342 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -0.156 3.825 4.657 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.780 4.014 6.283 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.279 1.651 4.439 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -0.179 1.680 5.803 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -3.215 1.912 5.955 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.271 0.489 6.350 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.907 1.693 8.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -1.219 1.719 8.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.133 3.097 7.755 1.00 10.00 H new ATOM 245 N LEU A 17 -0.940 3.337 1.551 1.00 10.00 N ATOM 246 CA LEU A 17 0.066 3.555 0.529 1.00 10.00 C ATOM 247 C LEU A 17 -0.582 3.967 -0.790 1.00 10.00 C ATOM 248 O LEU A 17 -0.201 4.996 -1.344 1.00 10.00 O ATOM 249 CB LEU A 17 0.907 2.284 0.408 1.00 10.00 C ATOM 250 CG LEU A 17 2.267 2.438 -0.283 1.00 10.00 C ATOM 251 CD1 LEU A 17 3.210 1.326 0.193 1.00 10.00 C ATOM 252 CD2 LEU A 17 2.157 2.348 -1.811 1.00 10.00 C ATOM 0 H LEU A 17 -1.226 2.363 1.647 1.00 10.00 H new ATOM 0 HA LEU A 17 0.724 4.379 0.805 1.00 10.00 H new ATOM 0 HB2 LEU A 17 1.074 1.887 1.409 1.00 10.00 H new ATOM 0 HB3 LEU A 17 0.327 1.540 -0.138 1.00 10.00 H new ATOM 0 HG LEU A 17 2.651 3.424 -0.021 1.00 10.00 H new ATOM 0 HD11 LEU A 17 4.177 1.434 -0.298 1.00 10.00 H new ATOM 0 HD12 LEU A 17 3.341 1.397 1.273 1.00 10.00 H new ATOM 0 HD13 LEU A 17 2.783 0.355 -0.057 1.00 10.00 H new ATOM 0 HD21 LEU A 17 3.146 2.463 -2.254 1.00 10.00 H new ATOM 0 HD22 LEU A 17 1.745 1.378 -2.090 1.00 10.00 H new ATOM 0 HD23 LEU A 17 1.502 3.139 -2.176 1.00 10.00 H new ATOM 264 N VAL A 18 -1.577 3.211 -1.280 1.00 10.00 N ATOM 265 CA VAL A 18 -2.333 3.607 -2.472 1.00 10.00 C ATOM 266 C VAL A 18 -2.955 4.976 -2.278 1.00 10.00 C ATOM 267 O VAL A 18 -3.184 5.701 -3.237 1.00 10.00 O ATOM 268 CB VAL A 18 -3.376 2.552 -2.892 1.00 10.00 C ATOM 269 CG1 VAL A 18 -4.754 2.647 -2.227 1.00 10.00 C ATOM 270 CG2 VAL A 18 -3.627 2.598 -4.407 1.00 10.00 C ATOM 0 H VAL A 18 -1.874 2.326 -0.869 1.00 10.00 H new ATOM 0 HA VAL A 18 -1.626 3.671 -3.299 1.00 10.00 H new ATOM 0 HB VAL A 18 -2.914 1.623 -2.557 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.396 1.852 -2.605 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -4.645 2.543 -1.147 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -5.202 3.614 -2.455 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.367 1.844 -4.676 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -3.997 3.585 -4.685 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -2.695 2.398 -4.936 1.00 10.00 H new ATOM 280 N PHE A 19 -3.191 5.327 -1.017 1.00 10.00 N ATOM 281 CA PHE A 19 -3.509 6.699 -0.691 1.00 10.00 C ATOM 282 C PHE A 19 -2.207 7.504 -0.703 1.00 10.00 C ATOM 283 O PHE A 19 -1.877 8.161 -1.683 1.00 10.00 O ATOM 284 CB PHE A 19 -4.243 6.768 0.652 1.00 10.00 C ATOM 285 CG PHE A 19 -5.739 6.502 0.602 1.00 10.00 C ATOM 286 CD1 PHE A 19 -6.230 5.297 0.067 1.00 10.00 C ATOM 287 CD2 PHE A 19 -6.640 7.431 1.159 1.00 10.00 C ATOM 288 CE1 PHE A 19 -7.609 5.030 0.064 1.00 10.00 C ATOM 289 CE2 PHE A 19 -8.018 7.151 1.184 1.00 10.00 C ATOM 290 CZ PHE A 19 -8.503 5.951 0.635 1.00 10.00 C ATOM 0 H PHE A 19 -3.167 4.688 -0.222 1.00 10.00 H new ATOM 0 HA PHE A 19 -4.186 7.132 -1.427 1.00 10.00 H new ATOM 0 HB2 PHE A 19 -3.787 6.047 1.331 1.00 10.00 H new ATOM 0 HB3 PHE A 19 -4.083 7.757 1.082 1.00 10.00 H new ATOM 0 HD1 PHE A 19 -5.542 4.573 -0.344 1.00 10.00 H new ATOM 0 HD2 PHE A 19 -6.272 8.360 1.568 1.00 10.00 H new ATOM 0 HE1 PHE A 19 -7.982 4.117 -0.377 1.00 10.00 H new ATOM 0 HE2 PHE A 19 -8.704 7.858 1.625 1.00 10.00 H new ATOM 0 HZ PHE A 19 -9.562 5.737 0.652 1.00 10.00 H new ATOM 300 N PHE A 20 -1.455 7.463 0.395 1.00 10.00 N ATOM 301 CA PHE A 20 -0.412 8.442 0.669 1.00 10.00 C ATOM 302 C PHE A 20 0.700 8.476 -0.362 1.00 10.00 C ATOM 303 O PHE A 20 1.117 9.546 -0.793 1.00 10.00 O ATOM 304 CB PHE A 20 0.233 8.118 2.010 1.00 10.00 C ATOM 305 CG PHE A 20 1.181 9.184 2.525 1.00 10.00 C ATOM 306 CD1 PHE A 20 0.704 10.482 2.785 1.00 10.00 C ATOM 307 CD2 PHE A 20 2.556 8.908 2.653 1.00 10.00 C ATOM 308 CE1 PHE A 20 1.594 11.497 3.173 1.00 10.00 C ATOM 309 CE2 PHE A 20 3.444 9.922 3.055 1.00 10.00 C ATOM 310 CZ PHE A 20 2.963 11.215 3.319 1.00 10.00 C ATOM 0 H PHE A 20 -1.553 6.750 1.118 1.00 10.00 H new ATOM 0 HA PHE A 20 -0.908 9.413 0.655 1.00 10.00 H new ATOM 0 HB2 PHE A 20 -0.553 7.961 2.749 1.00 10.00 H new ATOM 0 HB3 PHE A 20 0.778 7.178 1.919 1.00 10.00 H new ATOM 0 HD1 PHE A 20 -0.349 10.698 2.686 1.00 10.00 H new ATOM 0 HD2 PHE A 20 2.929 7.917 2.442 1.00 10.00 H new ATOM 0 HE1 PHE A 20 1.226 12.495 3.359 1.00 10.00 H new ATOM 0 HE2 PHE A 20 4.497 9.706 3.161 1.00 10.00 H new ATOM 0 HZ PHE A 20 3.644 11.992 3.634 1.00 10.00 H new ATOM 320 N ALA A 21 1.224 7.312 -0.740 1.00 10.00 N ATOM 321 CA ALA A 21 2.318 7.291 -1.693 1.00 10.00 C ATOM 322 C ALA A 21 1.855 7.905 -3.007 1.00 10.00 C ATOM 323 O ALA A 21 2.639 8.523 -3.725 1.00 10.00 O ATOM 324 CB ALA A 21 2.823 5.863 -1.880 1.00 10.00 C ATOM 0 H ALA A 21 0.916 6.398 -0.409 1.00 10.00 H new ATOM 0 HA ALA A 21 3.151 7.884 -1.316 1.00 10.00 H new ATOM 0 HB1 ALA A 21 3.644 5.858 -2.597 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.174 5.473 -0.924 1.00 10.00 H new ATOM 0 HB3 ALA A 21 2.013 5.236 -2.252 1.00 10.00 H new ATOM 330 N GLU A 22 0.560 7.762 -3.291 1.00 10.00 N ATOM 331 CA GLU A 22 -0.023 8.276 -4.516 1.00 10.00 C ATOM 332 C GLU A 22 -0.392 9.757 -4.343 1.00 10.00 C ATOM 333 O GLU A 22 -0.315 10.527 -5.296 1.00 10.00 O ATOM 334 CB GLU A 22 -1.142 7.337 -4.971 1.00 10.00 C ATOM 335 CG GLU A 22 -1.247 7.134 -6.495 1.00 10.00 C ATOM 336 CD GLU A 22 -1.475 5.664 -6.844 1.00 10.00 C ATOM 337 OE1 GLU A 22 -0.462 4.923 -6.890 1.00 10.00 O ATOM 338 OE2 GLU A 22 -2.644 5.279 -7.024 1.00 10.00 O ATOM 0 H GLU A 22 -0.105 7.289 -2.679 1.00 10.00 H new ATOM 0 HA GLU A 22 0.689 8.281 -5.341 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -0.993 6.365 -4.500 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -2.092 7.726 -4.606 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -2.067 7.735 -6.889 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -0.334 7.487 -6.975 1.00 10.00 H new ATOM 345 N ASP A 23 -0.707 10.174 -3.109 1.00 10.00 N ATOM 346 CA ASP A 23 -0.877 11.574 -2.746 1.00 10.00 C ATOM 347 C ASP A 23 0.415 12.337 -3.012 1.00 10.00 C ATOM 348 O ASP A 23 0.451 13.284 -3.799 1.00 10.00 O ATOM 349 CB ASP A 23 -1.266 11.680 -1.267 1.00 10.00 C ATOM 350 CG ASP A 23 -1.535 13.123 -0.874 1.00 10.00 C ATOM 351 OD1 ASP A 23 -2.698 13.547 -1.035 1.00 10.00 O ATOM 352 OD2 ASP A 23 -0.572 13.768 -0.408 1.00 10.00 O ATOM 0 H ASP A 23 -0.851 9.533 -2.329 1.00 10.00 H new ATOM 0 HA ASP A 23 -1.671 12.012 -3.351 1.00 10.00 H new ATOM 0 HB2 ASP A 23 -2.154 11.077 -1.077 1.00 10.00 H new ATOM 0 HB3 ASP A 23 -0.466 11.274 -0.647 1.00 10.00 H new ATOM 357 N VAL A 24 1.497 11.886 -2.374 1.00 10.00 N ATOM 358 CA VAL A 24 2.787 12.532 -2.526 1.00 10.00 C ATOM 359 C VAL A 24 3.311 12.337 -3.949 1.00 10.00 C ATOM 360 O VAL A 24 3.989 13.222 -4.477 1.00 10.00 O ATOM 361 CB VAL A 24 3.786 12.088 -1.449 1.00 10.00 C ATOM 362 CG1 VAL A 24 3.223 12.302 -0.038 1.00 10.00 C ATOM 363 CG2 VAL A 24 4.270 10.649 -1.624 1.00 10.00 C ATOM 0 H VAL A 24 1.498 11.078 -1.751 1.00 10.00 H new ATOM 0 HA VAL A 24 2.657 13.603 -2.372 1.00 10.00 H new ATOM 0 HB VAL A 24 4.660 12.727 -1.578 1.00 10.00 H new ATOM 0 HG11 VAL A 24 3.957 11.977 0.700 1.00 10.00 H new ATOM 0 HG12 VAL A 24 3.004 13.359 0.110 1.00 10.00 H new ATOM 0 HG13 VAL A 24 2.308 11.722 0.080 1.00 10.00 H new ATOM 0 HG21 VAL A 24 4.973 10.402 -0.828 1.00 10.00 H new ATOM 0 HG22 VAL A 24 3.418 9.971 -1.579 1.00 10.00 H new ATOM 0 HG23 VAL A 24 4.764 10.546 -2.590 1.00 10.00 H new ATOM 373 N GLY A 25 2.966 11.200 -4.573 1.00 10.00 N ATOM 374 CA GLY A 25 3.202 10.872 -5.976 1.00 10.00 C ATOM 375 C GLY A 25 2.395 11.761 -6.927 1.00 10.00 C ATOM 376 O GLY A 25 1.670 11.297 -7.803 1.00 10.00 O ATOM 0 H GLY A 25 2.488 10.446 -4.079 1.00 10.00 H new ATOM 0 HA2 GLY A 25 4.264 10.978 -6.197 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.942 9.828 -6.151 1.00 10.00 H new ATOM 380 N SER A 26 2.593 13.066 -6.783 1.00 10.00 N ATOM 381 CA SER A 26 1.961 14.149 -7.502 1.00 10.00 C ATOM 382 C SER A 26 2.435 14.218 -8.953 1.00 10.00 C ATOM 383 O SER A 26 1.746 14.811 -9.780 1.00 10.00 O ATOM 384 CB SER A 26 2.259 15.423 -6.722 1.00 10.00 C ATOM 385 OG SER A 26 3.629 15.474 -6.355 1.00 10.00 O ATOM 0 H SER A 26 3.261 13.417 -6.097 1.00 10.00 H new ATOM 0 HA SER A 26 0.884 13.998 -7.570 1.00 10.00 H new ATOM 0 HB2 SER A 26 2.006 16.294 -7.327 1.00 10.00 H new ATOM 0 HB3 SER A 26 1.636 15.463 -5.829 1.00 10.00 H new ATOM 0 HG SER A 26 3.804 16.299 -5.856 1.00 10.00 H new ATOM 391 N ASN A 27 3.585 13.593 -9.227 1.00 10.00 N ATOM 392 CA ASN A 27 4.033 12.928 -10.434 1.00 10.00 C ATOM 393 C ASN A 27 3.117 12.856 -11.652 1.00 10.00 C ATOM 394 O ASN A 27 2.886 13.845 -12.347 1.00 10.00 O ATOM 395 CB ASN A 27 5.499 13.254 -10.714 1.00 10.00 C ATOM 396 CG ASN A 27 5.693 14.412 -11.687 1.00 10.00 C ATOM 397 OD1 ASN A 27 6.294 14.254 -12.744 1.00 10.00 O ATOM 398 ND2 ASN A 27 5.218 15.599 -11.321 1.00 10.00 N ATOM 0 H ASN A 27 4.308 13.541 -8.509 1.00 10.00 H new ATOM 0 HA ASN A 27 3.948 11.871 -10.183 1.00 10.00 H new ATOM 0 HB2 ASN A 27 5.995 13.494 -9.774 1.00 10.00 H new ATOM 0 HB3 ASN A 27 5.989 12.367 -11.116 1.00 10.00 H new ATOM 0 HD21 ASN A 27 5.350 16.410 -11.926 1.00 10.00 H new ATOM 0 HD22 ASN A 27 4.722 15.699 -10.435 1.00 10.00 H new ATOM 405 N LYS A 28 2.539 11.662 -11.838 1.00 10.00 N ATOM 406 CA LYS A 28 1.584 11.269 -12.840 1.00 10.00 C ATOM 407 C LYS A 28 2.286 10.308 -13.796 1.00 10.00 C ATOM 408 O LYS A 28 3.183 9.591 -13.298 1.00 10.00 O ATOM 409 CB LYS A 28 0.345 10.608 -12.212 1.00 10.00 C ATOM 410 CG LYS A 28 -0.176 11.102 -10.842 1.00 10.00 C ATOM 411 CD LYS A 28 -1.027 12.382 -10.881 1.00 10.00 C ATOM 412 CE LYS A 28 -0.221 13.480 -11.571 1.00 10.00 C ATOM 413 NZ LYS A 28 -0.511 14.848 -11.114 1.00 10.00 N ATOM 414 OXT LYS A 28 1.906 10.302 -14.985 1.00 10.00 O ATOM 0 H LYS A 28 2.762 10.882 -11.220 1.00 10.00 H new ATOM 0 HA LYS A 28 1.228 12.149 -13.375 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -0.473 10.705 -12.926 1.00 10.00 H new ATOM 0 HB3 LYS A 28 0.558 9.543 -12.115 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -0.768 10.306 -10.389 1.00 10.00 H new ATOM 0 HG3 LYS A 28 0.679 11.275 -10.188 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -1.958 12.201 -11.418 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -1.296 12.688 -9.870 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.840 13.280 -11.420 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -0.406 13.425 -12.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -0.654 15.466 -11.938 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -1.372 14.844 -10.530 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 0.288 15.202 -10.550 1.00 10.00 H new TER 428 LYS A 28 END