USER MOD reduce.3.24.130724 H: found=0, std=0, add=57, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER RNA POLYMERASE 05-FEB-99 1HMJ TITLE SOLUTION STRUCTURE OF RNA POLYMERASE SUBUNIT H COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (SUBUNIT H); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RPB5; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_TAXID: 2190; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS RNA POLYMERASE, SUBUNIT H, RPB5, ARCHAEA EXPDTA SOLUTION NMR AUTHOR A.THIRU,M.HODACH,J.ELORANTA,V.KOSTOUROU,R.WEINZIERL REVDAT 3 24-FEB-09 1HMJ 1 VERSN REVDAT 2 01-APR-03 1HMJ 1 JRNL REVDAT 1 05-APR-99 1HMJ 0 JRNL AUTH A.THIRU,M.HODACH,J.J.ELORANTA,V.KOSTOUROU, JRNL AUTH 2 R.O.WEINZIERL,S.MATTHEWS JRNL TITL RNA POLYMERASE SUBUNIT H FEATURES A BETA-RIBBON JRNL TITL 2 MOTIF WITHIN A NOVEL FOLD THAT IS PRESENT IN JRNL TITL 3 ARCHAEA AND EUKARYOTES. JRNL REF J.MOL.BIOL. V. 287 753 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10191143 JRNL DOI 10.1006/JMBI.1999.2638 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HMJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-99. REMARK 100 THE RCSB ID CODE IS RCSB000454. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 302 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL 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: MEAN STRUCTURE. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 LYS A 2 REMARK 465 VAL A 3 REMARK 465 THR A 4 REMARK 465 ASP A 5 REMARK 465 HIS A 6 REMARK 465 ILE A 7 REMARK 465 LEU A 8 REMARK 465 VAL A 9 REMARK 465 ILE A 78 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 PRO A 10 O CB CG CD REMARK 470 LYS A 11 O CB CG CD CE NZ REMARK 470 HIS A 12 O CB CG ND1 CD2 CE1 NE2 REMARK 470 GLU A 13 O CB CG CD OE1 OE2 REMARK 470 ILE A 14 O CB CG1 CG2 CD1 REMARK 470 VAL A 15 O CB CG1 CG2 REMARK 470 PRO A 16 O CB CG CD REMARK 470 LYS A 17 O CB CG CD CE NZ REMARK 470 GLU A 18 O CB CG CD OE1 OE2 REMARK 470 GLU A 19 O CB CG CD OE1 OE2 REMARK 470 VAL A 20 O CB CG1 CG2 REMARK 470 GLU A 21 O CB CG CD OE1 OE2 REMARK 470 GLU A 22 O CB CG CD OE1 OE2 REMARK 470 ILE A 23 O CB CG1 CG2 CD1 REMARK 470 LEU A 24 O CB CG CD1 CD2 REMARK 470 LYS A 25 O CB CG CD CE NZ REMARK 470 ARG A 26 O CB CG CD NE CZ NH1 REMARK 470 ARG A 26 NH2 REMARK 470 TYR A 27 O CB CG CD1 CD2 CE1 CE2 REMARK 470 TYR A 27 CZ OH REMARK 470 ASN A 28 O CB CG OD1 ND2 REMARK 470 ILE A 29 O CB CG1 CG2 CD1 REMARK 470 LYS A 30 O CB CG CD CE NZ REMARK 470 ILE A 31 O CB CG1 CG2 CD1 REMARK 470 GLN A 32 O CB CG CD OE1 NE2 REMARK 470 GLN A 33 O CB CG CD OE1 NE2 REMARK 470 LEU A 34 O CB CG CD1 CD2 REMARK 470 PRO A 35 O CB CG CD REMARK 470 LYS A 36 O CB CG CD CE NZ REMARK 470 ILE A 37 O CB CG1 CG2 CD1 REMARK 470 TYR A 38 O CB CG CD1 CD2 CE1 CE2 REMARK 470 TYR A 38 CZ OH REMARK 470 GLU A 39 O CB CG CD OE1 OE2 REMARK 470 ASP A 40 O CB CG OD1 OD2 REMARK 470 ASP A 41 O CB CG OD1 OD2 REMARK 470 PRO A 42 O CB CG CD REMARK 470 VAL A 43 O CB CG1 CG2 REMARK 470 ILE A 44 O CB CG1 CG2 CD1 REMARK 470 GLN A 45 O CB CG CD OE1 NE2 REMARK 470 GLU A 46 O CB CG CD OE1 OE2 REMARK 470 ILE A 47 O CB CG1 CG2 CD1 REMARK 470 GLY A 48 O REMARK 470 ALA A 49 O CB REMARK 470 LYS A 50 O CB CG CD CE NZ REMARK 470 GLU A 51 O CB CG CD OE1 OE2 REMARK 470 GLY A 52 O REMARK 470 ASP A 53 O CB CG OD1 OD2 REMARK 470 VAL A 54 O CB CG1 CG2 REMARK 470 VAL A 55 O CB CG1 CG2 REMARK 470 ARG A 56 O CB CG CD NE CZ NH1 REMARK 470 ARG A 56 NH2 REMARK 470 VAL A 57 O CB CG1 CG2 REMARK 470 ILE A 58 O CB CG1 CG2 CD1 REMARK 470 ARG A 59 O CB CG CD NE CZ NH1 REMARK 470 ARG A 59 NH2 REMARK 470 LYS A 60 O CB CG CD CE NZ REMARK 470 SER A 61 O CB OG REMARK 470 PRO A 62 O CB CG CD REMARK 470 THR A 63 O CB OG1 CG2 REMARK 470 ALA A 64 O CB REMARK 470 GLY A 65 O REMARK 470 VAL A 66 O CB CG1 CG2 REMARK 470 SER A 67 O CB OG REMARK 470 ILE A 68 O CB CG1 CG2 CD1 REMARK 470 ALA A 69 O CB REMARK 470 TYR A 70 O CB CG CD1 CD2 CE1 CE2 REMARK 470 TYR A 70 CZ OH REMARK 470 ARG A 71 O CB CG CD NE CZ NH1 REMARK 470 ARG A 71 NH2 REMARK 470 LEU A 72 O CB CG CD1 CD2 REMARK 470 VAL A 73 O CB CG1 CG2 REMARK 470 ILE A 74 O CB CG1 CG2 CD1 REMARK 470 LYS A 75 O CB CG CD CE NZ REMARK 470 ARG A 76 O CB CG CD NE CZ NH1 REMARK 470 ARG A 76 NH2 REMARK 470 ILE A 77 O CB CG1 CG2 CD1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (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: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PRO A 10 N PRO A 10 CA -0.168 REMARK 500 PRO A 10 CA PRO A 10 C -0.302 REMARK 500 LYS A 11 N LYS A 11 CA -0.263 REMARK 500 PRO A 10 C LYS A 11 N -0.173 REMARK 500 LYS A 11 C HIS A 12 N -0.316 REMARK 500 GLU A 13 C ILE A 14 N -0.145 REMARK 500 ILE A 31 CA ILE A 31 C -0.200 REMARK 500 LYS A 30 C ILE A 31 N -0.403 REMARK 500 GLN A 32 N GLN A 32 CA -0.173 REMARK 500 ILE A 31 C GLN A 32 N -0.189 REMARK 500 GLN A 32 C GLN A 33 N -0.274 REMARK 500 GLN A 33 C LEU A 34 N -0.251 REMARK 500 LYS A 50 CA LYS A 50 C -0.376 REMARK 500 ALA A 49 C LYS A 50 N -0.530 REMARK 500 GLU A 51 N GLU A 51 CA -0.332 REMARK 500 LYS A 50 C GLU A 51 N -0.433 REMARK 500 GLU A 51 C GLY A 52 N -0.307 REMARK 500 LYS A 60 CA LYS A 60 C -0.339 REMARK 500 ARG A 59 C LYS A 60 N -0.182 REMARK 500 SER A 61 N SER A 61 CA -0.298 REMARK 500 LYS A 60 C SER A 61 N -0.221 REMARK 500 PRO A 62 CA PRO A 62 C -0.229 REMARK 500 SER A 61 C PRO A 62 N -0.244 REMARK 500 THR A 63 N THR A 63 CA -0.202 REMARK 500 THR A 63 CA THR A 63 C -0.354 REMARK 500 PRO A 62 C THR A 63 N -0.350 REMARK 500 ALA A 64 N ALA A 64 CA -0.318 REMARK 500 ALA A 64 CA ALA A 64 C -0.249 REMARK 500 THR A 63 C ALA A 64 N -0.308 REMARK 500 GLY A 65 N GLY A 65 CA -0.218 REMARK 500 GLY A 65 CA GLY A 65 C -0.189 REMARK 500 ALA A 64 C GLY A 65 N -0.504 REMARK 500 VAL A 66 N VAL A 66 CA -0.162 REMARK 500 GLY A 65 C VAL A 66 N -0.158 REMARK 500 ARG A 76 CA ARG A 76 C -0.947 REMARK 500 LYS A 75 C ARG A 76 N -0.267 REMARK 500 ILE A 77 N ILE A 77 CA -0.871 REMARK 500 ILE A 77 CA ILE A 77 C -0.603 REMARK 500 ARG A 76 C ILE A 77 N -0.505 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (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: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LYS A 30 CA - C - N ANGL. DEV. = 24.7 DEGREES REMARK 500 ILE A 31 C - N - CA ANGL. DEV. = 22.2 DEGREES REMARK 500 LYS A 50 N - CA - C ANGL. DEV. = 21.7 DEGREES REMARK 500 ALA A 49 CA - C - N ANGL. DEV. = 41.1 DEGREES REMARK 500 LYS A 50 C - N - CA ANGL. DEV. = 37.4 DEGREES REMARK 500 GLU A 51 N - CA - C ANGL. DEV. = 30.4 DEGREES REMARK 500 LYS A 50 CA - C - N ANGL. DEV. = 21.3 DEGREES REMARK 500 GLU A 51 C - N - CA ANGL. DEV. = 18.1 DEGREES REMARK 500 ARG A 76 N - CA - C ANGL. DEV. = 50.1 DEGREES REMARK 500 LYS A 75 CA - C - N ANGL. DEV. = 13.8 DEGREES REMARK 500 ILE A 77 N - CA - C ANGL. DEV. = 28.1 DEGREES REMARK 500 ARG A 76 CA - C - N ANGL. DEV. = 30.7 DEGREES REMARK 500 ILE A 77 C - N - CA ANGL. DEV. = 28.6 DEGREES 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 GLU A 19 -36.93 -151.47 REMARK 500 ASN A 28 39.48 164.61 REMARK 500 ILE A 29 38.66 31.41 REMARK 500 ILE A 31 14.95 175.02 REMARK 500 LEU A 34 102.05 172.98 REMARK 500 PRO A 35 34.76 -82.02 REMARK 500 ALA A 49 76.71 -113.15 REMARK 500 GLU A 51 74.10 107.19 REMARK 500 REMARK 500 REMARK: NULL DBREF 1HMJ A 1 78 UNP Q58443 RPOH_METJA 1 78 SEQRES 1 A 78 MET LYS VAL THR ASP HIS ILE LEU VAL PRO LYS HIS GLU SEQRES 2 A 78 ILE VAL PRO LYS GLU GLU VAL GLU GLU ILE LEU LYS ARG SEQRES 3 A 78 TYR ASN ILE LYS ILE GLN GLN LEU PRO LYS ILE TYR GLU SEQRES 4 A 78 ASP ASP PRO VAL ILE GLN GLU ILE GLY ALA LYS GLU GLY SEQRES 5 A 78 ASP VAL VAL ARG VAL ILE ARG LYS SER PRO THR ALA GLY SEQRES 6 A 78 VAL SER ILE ALA TYR ARG LEU VAL ILE LYS ARG ILE ILE HELIX 1 1 LYS A 17 ASN A 28 1 12 HELIX 2 2 VAL A 43 ILE A 47 1 5 HELIX 3 3 ILE A 31 LEU A 34 1 4 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N PRO A 10 4.090 -12.269 -7.295 1.00 2.02 N ATOM 2 CA PRO A 10 3.392 -11.177 -7.391 1.00 1.65 C ATOM 3 C PRO A 10 4.223 -10.287 -7.497 1.00 1.38 C ATOM 4 N LYS A 11 3.927 -9.267 -7.970 1.00 1.16 N ATOM 5 CA LYS A 11 4.701 -8.365 -8.099 1.00 1.60 C ATOM 6 C LYS A 11 4.166 -6.991 -7.875 1.00 1.45 C ATOM 0 H LYS A 11 2.989 -9.058 -8.312 1.00 1.16 H new ATOM 7 N HIS A 12 4.730 -6.148 -7.765 1.00 1.99 N ATOM 8 CA HIS A 12 4.255 -4.793 -7.546 1.00 2.00 C ATOM 9 C HIS A 12 5.187 -3.847 -8.184 1.00 2.24 C ATOM 10 N GLU A 13 4.718 -2.966 -8.936 1.00 2.16 N ATOM 11 CA GLU A 13 5.580 -2.018 -9.584 1.00 2.46 C ATOM 12 C GLU A 13 5.117 -0.608 -9.409 1.00 2.30 C ATOM 0 H GLU A 13 3.725 -2.853 -9.142 1.00 2.16 H new ATOM 13 N ILE A 14 5.750 0.186 -8.786 1.00 2.00 N ATOM 14 CA ILE A 14 5.352 1.574 -8.582 1.00 1.85 C ATOM 15 C ILE A 14 6.548 2.493 -8.623 1.00 2.00 C ATOM 0 H ILE A 14 6.636 -0.047 -8.338 1.00 2.00 H new ATOM 16 N VAL A 15 6.348 3.733 -8.921 1.00 2.02 N ATOM 17 CA VAL A 15 7.488 4.661 -8.965 1.00 2.18 C ATOM 18 C VAL A 15 7.924 5.008 -7.575 1.00 2.07 C ATOM 0 H VAL A 15 5.440 4.144 -9.137 1.00 2.02 H new ATOM 19 N PRO A 16 7.117 5.710 -6.877 1.00 1.83 N ATOM 20 CA PRO A 16 7.451 6.064 -5.516 1.00 1.77 C ATOM 21 C PRO A 16 7.236 4.859 -4.624 1.00 1.73 C ATOM 22 N LYS A 17 7.759 3.745 -4.963 1.00 1.91 N ATOM 23 CA LYS A 17 7.567 2.533 -4.148 1.00 1.91 C ATOM 24 C LYS A 17 8.289 2.653 -2.849 1.00 2.03 C ATOM 0 H LYS A 17 8.332 3.611 -5.796 1.00 1.91 H new ATOM 25 N GLU A 18 9.124 3.624 -2.710 1.00 2.14 N ATOM 26 CA GLU A 18 9.845 3.763 -1.457 1.00 2.31 C ATOM 27 C GLU A 18 8.888 3.728 -0.321 1.00 2.18 C ATOM 0 H GLU A 18 9.333 4.327 -3.419 1.00 2.14 H new ATOM 28 N GLU A 19 7.682 4.049 -0.563 1.00 1.96 N ATOM 29 CA GLU A 19 6.691 4.027 0.495 1.00 1.88 C ATOM 30 C GLU A 19 5.337 3.752 -0.076 1.00 1.63 C ATOM 0 H GLU A 19 7.331 4.334 -1.477 1.00 1.96 H new ATOM 31 N VAL A 20 5.073 4.269 -1.209 1.00 1.48 N ATOM 32 CA VAL A 20 3.776 4.023 -1.819 1.00 1.27 C ATOM 33 C VAL A 20 3.664 2.567 -2.199 1.00 1.27 C ATOM 0 H VAL A 20 5.707 4.859 -1.747 1.00 1.48 H new ATOM 34 N GLU A 21 4.734 1.873 -2.214 1.00 1.47 N ATOM 35 CA GLU A 21 4.673 0.449 -2.576 1.00 1.53 C ATOM 36 C GLU A 21 4.082 -0.372 -1.466 1.00 1.51 C ATOM 0 H GLU A 21 5.664 2.227 -1.990 1.00 1.47 H new ATOM 37 N GLU A 22 4.459 -0.099 -0.285 1.00 1.62 N ATOM 38 CA GLU A 22 3.925 -0.881 0.837 1.00 1.68 C ATOM 39 C GLU A 22 2.564 -0.390 1.238 1.00 1.57 C ATOM 0 H GLU A 22 5.120 0.637 -0.034 1.00 1.62 H new ATOM 40 N ILE A 23 2.234 0.825 0.951 1.00 1.48 N ATOM 41 CA ILE A 23 0.915 1.325 1.337 1.00 1.42 C ATOM 42 C ILE A 23 -0.119 0.833 0.379 1.00 1.22 C ATOM 0 H ILE A 23 2.829 1.493 0.462 1.00 1.48 H new ATOM 43 N LEU A 24 0.102 1.009 -0.840 1.00 1.01 N ATOM 44 CA LEU A 24 -0.864 0.550 -1.825 1.00 0.87 C ATOM 45 C LEU A 24 -0.785 -0.956 -1.986 1.00 0.97 C ATOM 0 H LEU A 24 0.931 1.463 -1.223 1.00 1.01 H new ATOM 46 N LYS A 25 0.168 -1.577 -1.412 1.00 1.11 N ATOM 47 CA LYS A 25 0.272 -3.045 -1.556 1.00 1.24 C ATOM 48 C LYS A 25 -0.012 -3.743 -0.257 1.00 1.33 C ATOM 0 H LYS A 25 0.892 -1.140 -0.842 1.00 1.11 H new ATOM 49 N ARG A 26 0.219 -3.109 0.827 1.00 1.39 N ATOM 50 CA ARG A 26 -0.061 -3.786 2.093 1.00 1.54 C ATOM 51 C ARG A 26 -1.540 -3.846 2.308 1.00 1.54 C ATOM 0 H ARG A 26 0.586 -2.160 0.897 1.00 1.39 H new ATOM 52 N TYR A 27 -2.243 -2.847 1.890 1.00 1.45 N ATOM 53 CA TYR A 27 -3.693 -2.889 2.055 1.00 1.51 C ATOM 54 C TYR A 27 -4.176 -4.244 1.588 1.00 1.54 C ATOM 0 H TYR A 27 -1.872 -2.009 1.443 1.00 1.45 H new ATOM 55 N ASN A 28 -3.601 -4.727 0.544 1.00 1.44 N ATOM 56 CA ASN A 28 -3.970 -6.057 0.001 1.00 1.50 C ATOM 57 C ASN A 28 -3.423 -6.179 -1.394 1.00 1.41 C ATOM 0 H ASN A 28 -2.867 -4.247 0.023 1.00 1.44 H new ATOM 58 N ILE A 29 -2.246 -5.690 -1.603 1.00 1.34 N ATOM 59 CA ILE A 29 -1.636 -5.757 -2.944 1.00 1.32 C ATOM 60 C ILE A 29 -2.691 -5.693 -4.017 1.00 1.30 C ATOM 0 H ILE A 29 -1.672 -5.240 -0.891 1.00 1.34 H new ATOM 61 N LYS A 30 -3.687 -4.908 -3.842 1.00 1.22 N ATOM 62 CA LYS A 30 -4.742 -4.827 -4.854 1.00 1.28 C ATOM 63 C LYS A 30 -5.174 -3.431 -5.089 1.00 1.21 C ATOM 0 H LYS A 30 -3.819 -4.308 -3.028 1.00 1.22 H new ATOM 64 N ILE A 31 -5.844 -2.929 -5.500 1.00 1.21 N ATOM 65 CA ILE A 31 -6.302 -1.577 -5.761 1.00 1.13 C ATOM 66 C ILE A 31 -7.363 -1.590 -6.555 1.00 1.49 C ATOM 67 N GLN A 32 -7.825 -2.638 -6.619 1.00 1.89 N ATOM 68 CA GLN A 32 -8.864 -2.700 -7.375 1.00 2.53 C ATOM 69 C GLN A 32 -9.897 -1.748 -7.093 1.00 2.44 C ATOM 0 H GLN A 32 -7.512 -3.493 -6.158 1.00 1.89 H new ATOM 70 N GLN A 33 -10.031 -1.579 -6.053 1.00 2.18 N ATOM 71 CA GLN A 33 -11.010 -0.652 -5.732 1.00 2.33 C ATOM 72 C GLN A 33 -10.866 0.617 -6.350 1.00 1.92 C ATOM 73 N LEU A 34 -9.864 0.772 -6.735 1.00 1.52 N ATOM 74 CA LEU A 34 -9.666 1.983 -7.352 1.00 1.39 C ATOM 75 C LEU A 34 -8.223 2.205 -7.711 1.00 1.26 C ATOM 76 N PRO A 35 -7.927 2.017 -8.945 1.00 1.33 N ATOM 77 CA PRO A 35 -6.567 2.198 -9.427 1.00 1.30 C ATOM 78 C PRO A 35 -6.283 3.655 -9.694 1.00 1.42 C ATOM 79 N LYS A 36 -6.822 4.529 -8.933 1.00 1.40 N ATOM 80 CA LYS A 36 -6.586 5.964 -9.136 1.00 1.54 C ATOM 81 C LYS A 36 -6.619 6.714 -7.847 1.00 1.37 C ATOM 0 H LYS A 36 -7.438 4.306 -8.151 1.00 1.40 H new ATOM 82 N ILE A 37 -5.827 7.702 -7.702 1.00 1.30 N ATOM 83 CA ILE A 37 -5.816 8.470 -6.468 1.00 1.21 C ATOM 84 C ILE A 37 -5.466 9.914 -6.738 1.00 1.34 C ATOM 0 H ILE A 37 -5.165 8.019 -8.410 1.00 1.30 H new ATOM 85 N TYR A 38 -5.942 10.804 -5.972 1.00 1.46 N ATOM 86 CA TYR A 38 -5.642 12.227 -6.188 1.00 1.62 C ATOM 87 C TYR A 38 -4.429 12.637 -5.414 1.00 1.44 C ATOM 0 H TYR A 38 -6.548 10.612 -5.175 1.00 1.46 H new ATOM 88 N GLU A 39 -3.654 13.515 -5.931 1.00 1.51 N ATOM 89 CA GLU A 39 -2.453 13.954 -5.230 1.00 1.43 C ATOM 90 C GLU A 39 -2.781 14.838 -4.071 1.00 1.45 C ATOM 0 H GLU A 39 -3.808 13.959 -6.836 1.00 1.51 H new ATOM 91 N ASP A 40 -3.998 15.054 -3.831 1.00 1.62 N ATOM 92 CA ASP A 40 -4.366 15.905 -2.713 1.00 1.76 C ATOM 93 C ASP A 40 -4.540 15.068 -1.501 1.00 1.76 C ATOM 0 H ASP A 40 -4.778 14.674 -4.367 1.00 1.62 H new ATOM 94 N ASP A 41 -4.295 13.818 -1.588 1.00 1.63 N ATOM 95 CA ASP A 41 -4.439 12.946 -0.444 1.00 1.72 C ATOM 96 C ASP A 41 -3.385 13.266 0.572 1.00 1.62 C ATOM 0 H ASP A 41 -3.989 13.352 -2.442 1.00 1.63 H new ATOM 97 N PRO A 42 -3.778 13.319 1.773 1.00 1.84 N ATOM 98 CA PRO A 42 -2.853 13.613 2.854 1.00 1.85 C ATOM 99 C PRO A 42 -1.958 12.445 3.036 1.00 1.82 C ATOM 100 N VAL A 43 -2.234 11.366 2.369 1.00 1.79 N ATOM 101 CA VAL A 43 -1.396 10.191 2.498 1.00 1.84 C ATOM 102 C VAL A 43 -0.254 10.275 1.572 1.00 1.60 C ATOM 0 H VAL A 43 -3.024 11.265 1.732 1.00 1.79 H new ATOM 103 N ILE A 44 -0.494 10.454 0.387 1.00 1.40 N ATOM 104 CA ILE A 44 0.579 10.552 -0.559 1.00 1.27 C ATOM 105 C ILE A 44 1.448 11.754 -0.231 1.00 1.28 C ATOM 0 H ILE A 44 -1.430 10.544 -0.009 1.00 1.40 H new ATOM 106 N GLN A 45 0.918 12.719 0.418 1.00 1.30 N ATOM 107 CA GLN A 45 1.712 13.915 0.774 1.00 1.34 C ATOM 108 C GLN A 45 2.690 13.591 1.832 1.00 1.53 C ATOM 0 H GLN A 45 -0.053 12.741 0.729 1.00 1.30 H new ATOM 109 N GLU A 46 2.374 12.643 2.601 1.00 1.70 N ATOM 110 CA GLU A 46 3.290 12.279 3.649 1.00 1.99 C ATOM 111 C GLU A 46 4.437 11.573 3.075 1.00 2.10 C ATOM 0 H GLU A 46 1.513 12.098 2.550 1.00 1.70 H new ATOM 112 N ILE A 47 4.304 11.058 1.915 1.00 1.94 N ATOM 113 CA ILE A 47 5.387 10.358 1.302 1.00 2.15 C ATOM 114 C ILE A 47 6.013 11.197 0.277 1.00 2.10 C ATOM 0 H ILE A 47 3.451 11.103 1.357 1.00 1.94 H new ATOM 115 N GLY A 48 5.296 12.055 -0.266 1.00 1.88 N ATOM 116 CA GLY A 48 5.848 12.902 -1.272 1.00 1.95 C ATOM 117 C GLY A 48 5.597 12.278 -2.601 1.00 2.02 C ATOM 0 H GLY A 48 4.312 12.216 -0.051 1.00 1.88 H new ATOM 0 HA2 GLY A 48 5.394 13.892 -1.226 1.00 1.95 H new ATOM 0 HA3 GLY A 48 6.918 13.035 -1.111 1.00 1.95 H new ATOM 118 N ALA A 49 4.490 11.903 -2.939 1.00 1.75 N ATOM 119 CA ALA A 49 4.190 11.288 -4.222 1.00 1.85 C ATOM 120 C ALA A 49 3.366 12.138 -4.977 1.00 2.04 C ATOM 0 H ALA A 49 3.672 11.993 -2.337 1.00 1.75 H new ATOM 121 N LYS A 50 3.162 12.763 -5.444 1.00 1.71 N ATOM 122 CA LYS A 50 2.369 13.609 -6.187 1.00 2.02 C ATOM 123 C LYS A 50 2.257 13.779 -7.318 1.00 1.80 C ATOM 124 N GLU A 51 1.668 13.588 -7.975 1.00 1.85 N ATOM 125 CA GLU A 51 1.533 13.745 -9.083 1.00 2.22 C ATOM 126 C GLU A 51 1.578 13.051 -10.302 1.00 2.10 C ATOM 127 N GLY A 52 0.854 12.391 -10.618 1.00 2.03 N ATOM 128 CA GLY A 52 0.865 11.693 -11.796 1.00 2.14 C ATOM 129 C GLY A 52 1.693 10.455 -11.660 1.00 2.13 C ATOM 0 HA2 GLY A 52 -0.154 11.428 -12.079 1.00 2.14 H new ATOM 0 HA3 GLY A 52 1.264 12.319 -12.594 1.00 2.14 H new ATOM 130 N ASP A 53 1.835 9.937 -10.573 1.00 1.81 N ATOM 131 CA ASP A 53 2.631 8.728 -10.377 1.00 1.83 C ATOM 132 C ASP A 53 1.775 7.485 -10.558 1.00 1.77 C ATOM 0 H ASP A 53 1.415 10.300 -9.717 1.00 1.81 H new ATOM 133 N VAL A 54 2.303 6.453 -11.068 1.00 1.80 N ATOM 134 CA VAL A 54 1.515 5.215 -11.269 1.00 1.76 C ATOM 135 C VAL A 54 2.009 4.113 -10.347 1.00 1.66 C ATOM 0 H VAL A 54 3.276 6.394 -11.370 1.00 1.80 H new ATOM 136 N VAL A 55 1.152 3.247 -9.941 1.00 1.57 N ATOM 137 CA VAL A 55 1.562 2.145 -9.040 1.00 1.49 C ATOM 138 C VAL A 55 0.989 0.831 -9.536 1.00 1.49 C ATOM 0 H VAL A 55 0.164 3.249 -10.195 1.00 1.57 H new ATOM 139 N ARG A 56 1.790 -0.153 -9.674 1.00 1.58 N ATOM 140 CA ARG A 56 1.279 -1.453 -10.154 1.00 1.63 C ATOM 141 C ARG A 56 1.290 -2.466 -9.046 1.00 1.50 C ATOM 0 H ARG A 56 2.790 -0.124 -9.476 1.00 1.58 H new ATOM 142 N VAL A 57 0.296 -3.259 -8.960 1.00 1.43 N ATOM 143 CA VAL A 57 0.246 -4.268 -7.903 1.00 1.36 C ATOM 144 C VAL A 57 -0.303 -5.573 -8.454 1.00 1.45 C ATOM 0 H VAL A 57 -0.506 -3.254 -9.591 1.00 1.43 H new ATOM 145 N ILE A 58 0.417 -6.598 -8.490 1.00 1.22 N ATOM 146 CA ILE A 58 -0.070 -7.893 -9.019 1.00 1.31 C ATOM 147 C ILE A 58 -0.093 -8.942 -7.934 1.00 1.27 C ATOM 0 H ILE A 58 1.383 -6.620 -8.162 1.00 1.22 H new ATOM 148 N ARG A 59 -1.095 -9.734 -7.879 1.00 1.38 N ATOM 149 CA ARG A 59 -1.175 -10.778 -6.847 1.00 1.40 C ATOM 150 C ARG A 59 -1.650 -12.073 -7.413 1.00 1.48 C ATOM 0 H ARG A 59 -1.887 -9.706 -8.521 1.00 1.38 H new ATOM 151 N LYS A 60 -1.179 -13.047 -7.011 1.00 1.64 N ATOM 152 CA LYS A 60 -1.602 -14.331 -7.528 1.00 1.85 C ATOM 153 C LYS A 60 -1.717 -15.211 -6.741 1.00 2.06 C ATOM 0 H LYS A 60 -0.458 -13.088 -6.291 1.00 1.64 H new ATOM 154 N SER A 61 -2.719 -15.639 -6.503 1.00 2.13 N ATOM 155 CA SER A 61 -2.884 -16.499 -5.741 1.00 2.76 C ATOM 156 C SER A 61 -3.872 -17.482 -6.180 1.00 2.94 C ATOM 0 H SER A 61 -3.581 -15.309 -6.937 1.00 2.13 H new ATOM 157 N PRO A 62 -3.600 -18.535 -6.064 1.00 3.47 N ATOM 158 CA PRO A 62 -4.474 -19.568 -6.453 1.00 3.76 C ATOM 159 C PRO A 62 -5.466 -19.752 -5.641 1.00 3.99 C ATOM 160 N THR A 63 -5.503 -19.155 -4.857 1.00 3.90 N ATOM 161 CA THR A 63 -6.448 -19.297 -4.040 1.00 4.35 C ATOM 162 C THR A 63 -7.230 -18.435 -4.166 1.00 4.21 C ATOM 163 N ALA A 64 -6.868 -17.520 -4.462 1.00 3.74 N ATOM 164 CA ALA A 64 -7.592 -16.649 -4.598 1.00 3.91 C ATOM 165 C ALA A 64 -7.739 -16.167 -5.770 1.00 3.42 C ATOM 166 N GLY A 65 -7.158 -16.240 -6.361 1.00 3.00 N ATOM 167 CA GLY A 65 -7.264 -15.785 -7.508 1.00 2.75 C ATOM 168 C GLY A 65 -6.225 -15.106 -7.972 1.00 2.20 C ATOM 0 HA2 GLY A 65 -7.461 -16.614 -8.187 1.00 2.75 H new ATOM 0 HA3 GLY A 65 -8.138 -15.134 -7.538 1.00 2.75 H new ATOM 169 N VAL A 66 -6.306 -14.563 -9.014 1.00 2.06 N ATOM 170 CA VAL A 66 -5.320 -13.885 -9.514 1.00 1.73 C ATOM 171 C VAL A 66 -5.735 -12.580 -9.766 1.00 1.91 C ATOM 0 H VAL A 66 -7.142 -14.580 -9.599 1.00 2.06 H new ATOM 172 N SER A 67 -5.008 -11.646 -9.498 1.00 1.79 N ATOM 173 CA SER A 67 -5.363 -10.353 -9.722 1.00 2.17 C ATOM 174 C SER A 67 -4.320 -9.369 -10.065 1.00 1.90 C ATOM 0 H SER A 67 -4.081 -11.755 -9.087 1.00 1.79 H new ATOM 175 N ILE A 68 -4.531 -8.517 -10.944 1.00 1.99 N ATOM 176 CA ILE A 68 -3.552 -7.531 -11.321 1.00 1.81 C ATOM 177 C ILE A 68 -4.169 -6.147 -11.281 1.00 1.71 C ATOM 0 H ILE A 68 -5.407 -8.450 -11.463 1.00 1.99 H new ATOM 178 N ALA A 69 -3.593 -5.263 -10.532 1.00 1.61 N ATOM 179 CA ALA A 69 -4.151 -3.899 -10.452 1.00 1.55 C ATOM 180 C ALA A 69 -3.040 -2.871 -10.486 1.00 1.49 C ATOM 0 H ALA A 69 -2.758 -5.427 -9.970 1.00 1.61 H new ATOM 181 N TYR A 70 -3.365 -1.653 -10.777 1.00 1.50 N ATOM 182 CA TYR A 70 -2.330 -0.599 -10.828 1.00 1.48 C ATOM 183 C TYR A 70 -2.932 0.745 -10.459 1.00 1.43 C ATOM 0 H TYR A 70 -4.313 -1.339 -10.984 1.00 1.50 H new ATOM 184 N ARG A 71 -2.410 1.392 -9.468 1.00 1.29 N ATOM 185 CA ARG A 71 -2.961 2.708 -9.068 1.00 1.26 C ATOM 186 C ARG A 71 -2.272 3.827 -9.819 1.00 1.39 C ATOM 0 H ARG A 71 -1.619 1.066 -8.912 1.00 1.29 H new ATOM 187 N LEU A 72 -2.811 5.006 -9.779 1.00 1.42 N ATOM 188 CA LEU A 72 -2.184 6.132 -10.496 1.00 1.57 C ATOM 189 C LEU A 72 -2.539 7.461 -9.855 1.00 1.51 C ATOM 0 H LEU A 72 -3.667 5.237 -9.275 1.00 1.42 H new ATOM 190 N VAL A 73 -1.746 7.915 -8.944 1.00 1.38 N ATOM 191 CA VAL A 73 -2.035 9.211 -8.287 1.00 1.35 C ATOM 192 C VAL A 73 -1.979 10.337 -9.281 1.00 1.56 C ATOM 0 H VAL A 73 -0.902 7.443 -8.620 1.00 1.38 H new ATOM 193 N ILE A 74 -2.963 11.161 -9.312 1.00 1.67 N ATOM 194 CA ILE A 74 -2.961 12.276 -10.262 1.00 1.89 C ATOM 195 C ILE A 74 -3.616 13.497 -9.662 1.00 1.96 C ATOM 0 H ILE A 74 -3.784 11.108 -8.708 1.00 1.67 H new ATOM 196 N LYS A 75 -3.108 14.651 -9.914 1.00 2.10 N ATOM 197 CA LYS A 75 -3.704 15.877 -9.362 1.00 2.20 C ATOM 198 C LYS A 75 -4.850 16.272 -10.068 1.00 2.42 C ATOM 0 H LYS A 75 -2.283 14.801 -10.495 1.00 2.10 H new ATOM 199 N ARG A 76 -5.779 16.677 -9.728 1.00 2.29 N ATOM 200 CA ARG A 76 -6.920 17.079 -10.380 1.00 2.61 C ATOM 201 C ARG A 76 -7.291 17.400 -10.686 1.00 2.94 C ATOM 202 N ILE A 77 -7.407 18.038 -11.205 1.00 3.57 N ATOM 203 CA ILE A 77 -7.765 18.378 -11.525 1.00 4.42 C ATOM 204 C ILE A 77 -7.994 18.512 -12.408 1.00 4.78 C TER 205 ILE A 77 END