HEADER ZN-BINDING PROTEIN 13-MAY-97 1WJC TITLE SOLUTION STRUCTURE OF THE N-TERMINAL ZN BINDING DOMAIN OF TITLE 2 HIV-1 INTEGRASE (E FORM), NMR, REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 INTEGRASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: POTENTIAL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ZN-BINDING PROTEIN, AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL KEYWDS 2 PROTEASE, ENDONUCLEASE EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.CAI,M.CAFFREY,A.M.GRONENBORN REVDAT 2 24-FEB-09 1WJC 1 VERSN REVDAT 1 13-MAY-98 1WJC 0 JRNL AUTH M.CAI,R.ZHENG,M.CAFFREY,R.CRAIGIE,G.M.CLORE, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE OF THE N-TERMINAL ZINC BINDING JRNL TITL 2 DOMAIN OF HIV-1 INTEGRASE. JRNL REF NAT.STRUCT.BIOL. V. 4 567 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 9228950 JRNL DOI 10.1038/NSB0797-567 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129 - 136 USING THE PROGRAM XPLOR 3.1 (BRUNGER) REMARK 3 MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. REMARK 3 (1984) J. MAGN RESON. SERIES B 104, 99 - 103), CARBON REMARK 3 CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. REMARK 3 SERIES B 106, 92 - 96) RESTRAINTS AND A CONFORMATIONAL REMARK 3 DATABASE POTENTIAL (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, REMARK 3 1067 - 1080 AND (1997) J. MAGN. RESON. 125, 171-177). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 REMARK 3 INTEGRASE WAS SOLVED BY REMARK 3 MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR REMARK 3 IS BASED ON 851 EXPERIMENTAL RESTRAINTS (PER MONOMER): REMARK 3 (A) INTRASUBUNIT: 201 SEQUENTIAL (|I-J|=1), 224 MEDIUM REMARK 3 RANGE (1 < |I-J| >=5) AND 98 LONG RANGE (|I-J| >5) REMARK 3 INTERRESIDUE, AND 17 INTRARESIDUE APPROXIMATE INTERPROTON REMARK 3 DISTANCE RESTRAINTS; 32 DISTANCE RESTRAINTS FOR 16 REMARK 3 HYDROGEN BONDS; 91 TORSION ANGLE (45 PHI, 1 PSI, 31 CHI1 REMARK 3 AND 14 CHI2) RESTRAINTS; 40 THREE-BOND HN-HA COUPLING REMARK 3 CONSTANT RESTRAINTS; 97 (50 CALPHA AND 47 CBETA) 13C REMARK 3 SHIFT RESTRAINTS. REMARK 3 (B) 28 INTERSUBUNIT INTERPROTON DISTANCE RESTRAINTS. REMARK 3 (C) 23 AMBIGUOUS INTERPROTON DISTANCE RESTRAINTS THAT CAN REMARK 3 ARISE FROM INTRA AND/OR INTERSUBUNIT INTERACTIONS. REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE AND THE LAST NUMERIC COLUMN REPRESENTS THE REMARK 3 RMS OF THE 38 INDIVIDUAL SIMULATED ANNEALING STRUCTURES REMARK 3 FOUND IN RELATED PDB ENTRY ABOUT THE MEAN COORDINATE REMARK 3 POSITIONS. THE LAST NUMERIC COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. THE LAST LETTER COLUMN REMARK 3 SIGNIFIES THE SUBUNIT (A OR B). REMARK 4 REMARK 4 1WJC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.4 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 : 600 MHZ, 500 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX600, DMX500, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR MODIFIED MODIFIED REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE 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 GLN A 44 -70.87 -78.45 REMARK 500 GLN B 44 -71.01 -78.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 56 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 12 NE2 REMARK 620 2 HIS A 16 ND1 108.8 REMARK 620 3 CYS A 40 SG 109.1 109.5 REMARK 620 4 CYS A 43 SG 109.7 110.6 109.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 56 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 12 NE2 REMARK 620 2 HIS B 16 ND1 108.8 REMARK 620 3 CYS B 40 SG 109.0 109.5 REMARK 620 4 CYS B 43 SG 109.7 110.6 109.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 56 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 56 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1WJD RELATED DB: PDB DBREF 1WJC A 1 47 UNP P35963 POL_HV1Y2 716 762 DBREF 1WJC B 1 47 UNP P35963 POL_HV1Y2 716 762 SEQRES 1 A 47 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU HIS GLU SEQRES 2 A 47 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 A 47 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 A 47 CYS ASP LYS CYS GLN LEU LYS GLY SEQRES 1 B 47 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU HIS GLU SEQRES 2 B 47 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 B 47 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 B 47 CYS ASP LYS CYS GLN LEU LYS GLY HET ZN A 56 1 HET ZN B 56 1 HETNAM ZN ZINC ION FORMUL 3 ZN 2(ZN 2+) HELIX 1 1 LEU A 2 TYR A 15 1 14 HELIX 2 2 TRP A 19 PHE A 26 1 8 HELIX 3 3 PRO A 30 SER A 39 1 10 HELIX 4 4 ASP A 41 GLN A 44 1 4 HELIX 5 5 LEU B 2 TYR B 15 1 14 HELIX 6 6 TRP B 19 PHE B 26 1 8 HELIX 7 7 PRO B 30 SER B 39 1 10 HELIX 8 8 ASP B 41 GLN B 44 1 4 LINK ZN ZN A 56 NE2 HIS A 12 1555 1555 1.99 LINK ZN ZN A 56 ND1 HIS A 16 1555 1555 2.01 LINK ZN ZN A 56 SG CYS A 40 1555 1555 2.29 LINK ZN ZN A 56 SG CYS A 43 1555 1555 2.30 LINK ZN ZN B 56 NE2 HIS B 12 1555 1555 1.99 LINK ZN ZN B 56 ND1 HIS B 16 1555 1555 2.01 LINK ZN ZN B 56 SG CYS B 40 1555 1555 2.29 LINK ZN ZN B 56 SG CYS B 43 1555 1555 2.30 SITE 1 AC1 4 HIS A 12 HIS A 16 CYS A 40 CYS A 43 SITE 1 AC2 4 HIS B 12 HIS B 16 CYS B 40 CYS B 43 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 PHE A 1 95.130 -3.686 24.047 1.00 0.37 N ATOM 2 CA PHE A 1 94.424 -4.238 25.238 1.00 0.30 C ATOM 3 C PHE A 1 94.022 -3.098 26.176 1.00 0.28 C ATOM 4 O PHE A 1 92.855 -2.833 26.389 1.00 0.34 O ATOM 5 CB PHE A 1 95.352 -5.191 25.999 1.00 0.25 C ATOM 6 CG PHE A 1 95.539 -6.474 25.223 1.00 0.26 C ATOM 7 CD1 PHE A 1 96.464 -6.527 24.162 1.00 0.31 C ATOM 8 CD2 PHE A 1 94.795 -7.621 25.567 1.00 0.24 C ATOM 9 CE1 PHE A 1 96.646 -7.727 23.447 1.00 0.34 C ATOM 10 CE2 PHE A 1 94.976 -8.818 24.849 1.00 0.27 C ATOM 11 CZ PHE A 1 95.902 -8.872 23.790 1.00 0.31 C ATOM 12 H1 PHE A 1 94.580 -2.898 23.651 1.00 1.02 H ATOM 13 H2 PHE A 1 96.070 -3.341 24.329 1.00 1.04 H ATOM 14 H3 PHE A 1 95.235 -4.432 23.329 1.00 1.10 H ATOM 15 HA PHE A 1 93.541 -4.773 24.919 1.00 0.37 H ATOM 16 HB2 PHE A 1 96.312 -4.717 26.139 1.00 0.26 H ATOM 17 HB3 PHE A 1 94.922 -5.416 26.963 1.00 0.25 H ATOM 18 HD1 PHE A 1 97.035 -5.649 23.899 1.00 0.35 H ATOM 19 HD2 PHE A 1 94.083 -7.583 26.382 1.00 0.24 H ATOM 20 HE1 PHE A 1 97.356 -7.768 22.634 1.00 0.40 H ATOM 21 HE2 PHE A 1 94.404 -9.695 25.111 1.00 0.28 H ATOM 22 HZ PHE A 1 96.043 -9.793 23.243 1.00 0.34 H ATOM 23 N LEU A 2 94.987 -2.440 26.757 1.00 0.23 N ATOM 24 CA LEU A 2 94.680 -1.335 27.708 1.00 0.25 C ATOM 25 C LEU A 2 94.155 -0.109 26.955 1.00 0.26 C ATOM 26 O LEU A 2 93.338 0.628 27.463 1.00 0.28 O ATOM 27 CB LEU A 2 95.959 -0.952 28.462 1.00 0.26 C ATOM 28 CG LEU A 2 96.644 -2.214 29.015 1.00 0.27 C ATOM 29 CD1 LEU A 2 97.857 -1.827 29.902 1.00 0.36 C ATOM 30 CD2 LEU A 2 95.631 -3.031 29.832 1.00 0.33 C ATOM 31 H LEU A 2 95.919 -2.687 26.582 1.00 0.22 H ATOM 32 HA LEU A 2 93.933 -1.662 28.413 1.00 0.28 H ATOM 33 HB2 LEU A 2 96.633 -0.444 27.788 1.00 0.26 H ATOM 34 HB3 LEU A 2 95.708 -0.294 29.282 1.00 0.30 H ATOM 35 HG LEU A 2 96.990 -2.815 28.181 1.00 0.26 H ATOM 36 HD11 LEU A 2 98.160 -0.809 29.694 1.00 1.02 H ATOM 37 HD12 LEU A 2 97.596 -1.911 30.949 1.00 1.10 H ATOM 38 HD13 LEU A 2 98.686 -2.489 29.692 1.00 1.09 H ATOM 39 HD21 LEU A 2 95.031 -2.367 30.437 1.00 1.02 H ATOM 40 HD22 LEU A 2 94.992 -3.583 29.160 1.00 1.08 H ATOM 41 HD23 LEU A 2 96.159 -3.722 30.473 1.00 1.12 H ATOM 42 N ASP A 3 94.625 0.128 25.762 1.00 0.29 N ATOM 43 CA ASP A 3 94.158 1.329 25.002 1.00 0.32 C ATOM 44 C ASP A 3 92.650 1.232 24.718 1.00 0.29 C ATOM 45 O ASP A 3 91.879 2.083 25.118 1.00 0.30 O ATOM 46 CB ASP A 3 94.939 1.413 23.665 1.00 0.39 C ATOM 47 CG ASP A 3 96.130 2.379 23.775 1.00 1.48 C ATOM 48 OD1 ASP A 3 96.440 2.801 24.877 1.00 2.31 O ATOM 49 OD2 ASP A 3 96.714 2.678 22.746 1.00 2.15 O ATOM 50 H ASP A 3 95.296 -0.470 25.373 1.00 0.32 H ATOM 51 HA ASP A 3 94.340 2.213 25.589 1.00 0.35 H ATOM 52 HB2 ASP A 3 95.310 0.430 23.415 1.00 0.98 H ATOM 53 HB3 ASP A 3 94.283 1.753 22.874 1.00 0.99 H ATOM 54 N GLY A 4 92.229 0.219 24.019 1.00 0.31 N ATOM 55 CA GLY A 4 90.777 0.091 23.693 1.00 0.32 C ATOM 56 C GLY A 4 89.949 0.006 24.977 1.00 0.26 C ATOM 57 O GLY A 4 88.910 0.624 25.101 1.00 0.25 O ATOM 58 H GLY A 4 92.867 -0.448 23.693 1.00 0.36 H ATOM 59 HA2 GLY A 4 90.463 0.951 23.121 1.00 0.34 H ATOM 60 HA3 GLY A 4 90.619 -0.804 23.110 1.00 0.37 H ATOM 61 N ILE A 5 90.395 -0.763 25.926 1.00 0.23 N ATOM 62 CA ILE A 5 89.635 -0.906 27.199 1.00 0.20 C ATOM 63 C ILE A 5 89.493 0.446 27.890 1.00 0.19 C ATOM 64 O ILE A 5 88.458 0.759 28.444 1.00 0.19 O ATOM 65 CB ILE A 5 90.369 -1.896 28.104 1.00 0.23 C ATOM 66 CG1 ILE A 5 90.230 -3.289 27.484 1.00 0.28 C ATOM 67 CG2 ILE A 5 89.744 -1.892 29.505 1.00 0.26 C ATOM 68 CD1 ILE A 5 91.186 -4.294 28.148 1.00 0.35 C ATOM 69 H ILE A 5 91.231 -1.257 25.799 1.00 0.25 H ATOM 70 HA ILE A 5 88.650 -1.293 26.979 1.00 0.20 H ATOM 71 HB ILE A 5 91.412 -1.622 28.167 1.00 0.23 H ATOM 72 HG12 ILE A 5 89.213 -3.616 27.619 1.00 0.30 H ATOM 73 HG13 ILE A 5 90.447 -3.233 26.426 1.00 0.28 H ATOM 74 HG21 ILE A 5 88.667 -1.866 29.419 1.00 1.06 H ATOM 75 HG22 ILE A 5 90.041 -2.783 30.037 1.00 1.04 H ATOM 76 HG23 ILE A 5 90.082 -1.022 30.047 1.00 1.02 H ATOM 77 HD11 ILE A 5 92.080 -3.789 28.484 1.00 1.08 H ATOM 78 HD12 ILE A 5 90.695 -4.759 28.990 1.00 1.05 H ATOM 79 HD13 ILE A 5 91.459 -5.054 27.430 1.00 1.09 H ATOM 80 N ASP A 6 90.514 1.251 27.876 1.00 0.22 N ATOM 81 CA ASP A 6 90.407 2.572 28.552 1.00 0.24 C ATOM 82 C ASP A 6 89.175 3.295 27.996 1.00 0.24 C ATOM 83 O ASP A 6 88.368 3.823 28.735 1.00 0.24 O ATOM 84 CB ASP A 6 91.695 3.386 28.283 1.00 0.29 C ATOM 85 CG ASP A 6 92.117 4.170 29.534 1.00 1.12 C ATOM 86 OD1 ASP A 6 92.001 3.625 30.619 1.00 1.84 O ATOM 87 OD2 ASP A 6 92.564 5.294 29.380 1.00 1.87 O ATOM 88 H ASP A 6 91.348 0.987 27.433 1.00 0.23 H ATOM 89 HA ASP A 6 90.275 2.413 29.611 1.00 0.25 H ATOM 90 HB2 ASP A 6 92.488 2.711 28.009 1.00 0.77 H ATOM 91 HB3 ASP A 6 91.529 4.079 27.470 1.00 0.92 H ATOM 92 N LYS A 7 89.009 3.296 26.701 1.00 0.25 N ATOM 93 CA LYS A 7 87.810 3.958 26.107 1.00 0.27 C ATOM 94 C LYS A 7 86.561 3.159 26.472 1.00 0.23 C ATOM 95 O LYS A 7 85.576 3.692 26.944 1.00 0.25 O ATOM 96 CB LYS A 7 87.918 3.972 24.576 1.00 0.31 C ATOM 97 CG LYS A 7 88.835 5.098 24.096 1.00 0.92 C ATOM 98 CD LYS A 7 88.810 5.133 22.551 1.00 1.00 C ATOM 99 CE LYS A 7 89.314 6.486 22.007 1.00 1.69 C ATOM 100 NZ LYS A 7 90.761 6.377 21.679 1.00 2.39 N ATOM 101 H LYS A 7 89.661 2.846 26.123 1.00 0.26 H ATOM 102 HA LYS A 7 87.721 4.964 26.482 1.00 0.29 H ATOM 103 HB2 LYS A 7 88.314 3.026 24.241 1.00 0.92 H ATOM 104 HB3 LYS A 7 86.933 4.114 24.150 1.00 0.76 H ATOM 105 HG2 LYS A 7 88.484 6.036 24.499 1.00 1.35 H ATOM 106 HG3 LYS A 7 89.843 4.911 24.435 1.00 1.47 H ATOM 107 HD2 LYS A 7 89.445 4.345 22.172 1.00 1.18 H ATOM 108 HD3 LYS A 7 87.799 4.966 22.201 1.00 1.29 H ATOM 109 HE2 LYS A 7 88.768 6.737 21.108 1.00 2.26 H ATOM 110 HE3 LYS A 7 89.168 7.267 22.738 1.00 2.07 H ATOM 111 HZ1 LYS A 7 91.263 5.919 22.465 1.00 2.79 H ATOM 112 HZ2 LYS A 7 90.879 5.808 20.816 1.00 2.79 H ATOM 113 HZ3 LYS A 7 91.150 7.329 21.524 1.00 2.85 H ATOM 114 N ALA A 8 86.596 1.882 26.225 1.00 0.21 N ATOM 115 CA ALA A 8 85.417 1.031 26.515 1.00 0.20 C ATOM 116 C ALA A 8 85.103 1.098 28.010 1.00 0.17 C ATOM 117 O ALA A 8 83.958 1.040 28.413 1.00 0.17 O ATOM 118 CB ALA A 8 85.725 -0.419 26.077 1.00 0.21 C ATOM 119 H ALA A 8 87.399 1.486 25.825 1.00 0.21 H ATOM 120 HA ALA A 8 84.568 1.405 25.961 1.00 0.21 H ATOM 121 HB1 ALA A 8 86.761 -0.486 25.776 1.00 1.00 H ATOM 122 HB2 ALA A 8 85.546 -1.105 26.889 1.00 1.03 H ATOM 123 HB3 ALA A 8 85.096 -0.692 25.242 1.00 1.07 H ATOM 124 N GLN A 9 86.101 1.214 28.837 1.00 0.17 N ATOM 125 CA GLN A 9 85.828 1.278 30.293 1.00 0.18 C ATOM 126 C GLN A 9 84.938 2.486 30.587 1.00 0.18 C ATOM 127 O GLN A 9 84.002 2.405 31.358 1.00 0.19 O ATOM 128 CB GLN A 9 87.139 1.410 31.063 1.00 0.20 C ATOM 129 CG GLN A 9 86.862 1.205 32.550 1.00 0.22 C ATOM 130 CD GLN A 9 88.139 1.461 33.351 1.00 0.77 C ATOM 131 OE1 GLN A 9 89.193 1.673 32.785 1.00 1.40 O ATOM 132 NE2 GLN A 9 88.089 1.449 34.655 1.00 1.19 N ATOM 133 H GLN A 9 87.024 1.259 28.502 1.00 0.18 H ATOM 134 HA GLN A 9 85.319 0.380 30.601 1.00 0.18 H ATOM 135 HB2 GLN A 9 87.838 0.663 30.717 1.00 0.21 H ATOM 136 HB3 GLN A 9 87.553 2.395 30.907 1.00 0.23 H ATOM 137 HG2 GLN A 9 86.089 1.888 32.871 1.00 0.58 H ATOM 138 HG3 GLN A 9 86.534 0.187 32.713 1.00 0.54 H ATOM 139 HE21 GLN A 9 87.239 1.277 35.111 1.00 1.47 H ATOM 140 HE22 GLN A 9 88.901 1.614 35.178 1.00 1.57 H ATOM 141 N GLU A 10 85.215 3.608 29.977 1.00 0.20 N ATOM 142 CA GLU A 10 84.370 4.810 30.229 1.00 0.22 C ATOM 143 C GLU A 10 82.938 4.520 29.778 1.00 0.20 C ATOM 144 O GLU A 10 81.986 4.870 30.447 1.00 0.20 O ATOM 145 CB GLU A 10 84.927 6.006 29.452 1.00 0.25 C ATOM 146 CG GLU A 10 84.155 7.269 29.841 1.00 0.28 C ATOM 147 CD GLU A 10 84.860 8.498 29.264 1.00 1.04 C ATOM 148 OE1 GLU A 10 85.982 8.353 28.807 1.00 1.76 O ATOM 149 OE2 GLU A 10 84.267 9.564 29.292 1.00 1.69 O ATOM 150 H GLU A 10 85.971 3.657 29.353 1.00 0.21 H ATOM 151 HA GLU A 10 84.371 5.035 31.287 1.00 0.24 H ATOM 152 HB2 GLU A 10 85.973 6.134 29.690 1.00 0.27 H ATOM 153 HB3 GLU A 10 84.817 5.831 28.393 1.00 0.25 H ATOM 154 HG2 GLU A 10 83.150 7.212 29.448 1.00 0.77 H ATOM 155 HG3 GLU A 10 84.116 7.350 30.917 1.00 0.73 H ATOM 156 N GLU A 11 82.773 3.868 28.657 1.00 0.18 N ATOM 157 CA GLU A 11 81.396 3.546 28.189 1.00 0.17 C ATOM 158 C GLU A 11 80.732 2.657 29.236 1.00 0.15 C ATOM 159 O GLU A 11 79.568 2.807 29.546 1.00 0.15 O ATOM 160 CB GLU A 11 81.464 2.818 26.839 1.00 0.17 C ATOM 161 CG GLU A 11 80.049 2.484 26.341 1.00 0.27 C ATOM 162 CD GLU A 11 79.280 3.765 26.050 1.00 1.68 C ATOM 163 OE1 GLU A 11 79.909 4.804 25.940 1.00 2.50 O ATOM 164 OE2 GLU A 11 78.065 3.688 25.949 1.00 2.41 O ATOM 165 H GLU A 11 83.551 3.582 28.135 1.00 0.19 H ATOM 166 HA GLU A 11 80.824 4.453 28.083 1.00 0.17 H ATOM 167 HB2 GLU A 11 81.955 3.454 26.116 1.00 0.21 H ATOM 168 HB3 GLU A 11 82.029 1.905 26.952 1.00 0.19 H ATOM 169 HG2 GLU A 11 80.115 1.898 25.435 1.00 0.93 H ATOM 170 HG3 GLU A 11 79.518 1.924 27.093 1.00 0.90 H ATOM 171 N HIS A 12 81.465 1.733 29.792 1.00 0.15 N ATOM 172 CA HIS A 12 80.867 0.846 30.825 1.00 0.15 C ATOM 173 C HIS A 12 80.380 1.685 32.005 1.00 0.17 C ATOM 174 O HIS A 12 79.284 1.521 32.485 1.00 0.18 O ATOM 175 CB HIS A 12 81.900 -0.157 31.344 1.00 0.16 C ATOM 176 CG HIS A 12 81.208 -1.033 32.344 1.00 0.16 C ATOM 177 ND1 HIS A 12 80.859 -2.362 32.068 1.00 0.18 N ATOM 178 CD2 HIS A 12 80.680 -0.751 33.578 1.00 0.17 C ATOM 179 CE1 HIS A 12 80.138 -2.816 33.115 1.00 0.19 C ATOM 180 NE2 HIS A 12 80.016 -1.868 34.032 1.00 0.18 N ATOM 181 H HIS A 12 82.405 1.629 29.536 1.00 0.16 H ATOM 182 HA HIS A 12 80.031 0.311 30.402 1.00 0.14 H ATOM 183 HB2 HIS A 12 82.278 -0.749 30.531 1.00 0.18 H ATOM 184 HB3 HIS A 12 82.712 0.369 31.823 1.00 0.19 H ATOM 185 HD1 HIS A 12 81.094 -2.868 31.262 1.00 0.20 H ATOM 186 HD2 HIS A 12 80.772 0.187 34.105 1.00 0.18 H ATOM 187 HE1 HIS A 12 79.720 -3.809 33.194 1.00 0.22 H ATOM 188 N GLU A 13 81.202 2.562 32.494 1.00 0.18 N ATOM 189 CA GLU A 13 80.798 3.389 33.665 1.00 0.21 C ATOM 190 C GLU A 13 79.558 4.221 33.331 1.00 0.22 C ATOM 191 O GLU A 13 78.673 4.391 34.146 1.00 0.24 O ATOM 192 CB GLU A 13 81.952 4.325 34.035 1.00 0.25 C ATOM 193 CG GLU A 13 81.567 5.151 35.263 1.00 0.29 C ATOM 194 CD GLU A 13 82.817 5.807 35.851 1.00 1.14 C ATOM 195 OE1 GLU A 13 83.886 5.599 35.301 1.00 1.85 O ATOM 196 OE2 GLU A 13 82.685 6.504 36.844 1.00 1.85 O ATOM 197 H GLU A 13 82.095 2.665 32.105 1.00 0.18 H ATOM 198 HA GLU A 13 80.582 2.743 34.502 1.00 0.23 H ATOM 199 HB2 GLU A 13 82.834 3.741 34.253 1.00 0.26 H ATOM 200 HB3 GLU A 13 82.158 4.989 33.206 1.00 0.24 H ATOM 201 HG2 GLU A 13 80.859 5.915 34.976 1.00 0.85 H ATOM 202 HG3 GLU A 13 81.119 4.506 36.004 1.00 0.82 H ATOM 203 N LYS A 14 79.502 4.761 32.150 1.00 0.21 N ATOM 204 CA LYS A 14 78.340 5.611 31.764 1.00 0.22 C ATOM 205 C LYS A 14 77.017 4.828 31.794 1.00 0.22 C ATOM 206 O LYS A 14 75.996 5.366 32.174 1.00 0.27 O ATOM 207 CB LYS A 14 78.575 6.164 30.357 1.00 0.23 C ATOM 208 CG LYS A 14 79.704 7.197 30.400 1.00 0.25 C ATOM 209 CD LYS A 14 80.122 7.578 28.970 1.00 0.33 C ATOM 210 CE LYS A 14 79.033 8.424 28.273 1.00 0.94 C ATOM 211 NZ LYS A 14 79.655 9.672 27.746 1.00 1.56 N ATOM 212 H LYS A 14 80.237 4.626 31.518 1.00 0.20 H ATOM 213 HA LYS A 14 78.270 6.437 32.452 1.00 0.25 H ATOM 214 HB2 LYS A 14 78.847 5.356 29.692 1.00 0.21 H ATOM 215 HB3 LYS A 14 77.672 6.637 30.002 1.00 0.25 H ATOM 216 HG2 LYS A 14 79.364 8.078 30.925 1.00 0.29 H ATOM 217 HG3 LYS A 14 80.553 6.777 30.918 1.00 0.27 H ATOM 218 HD2 LYS A 14 81.039 8.148 29.012 1.00 1.03 H ATOM 219 HD3 LYS A 14 80.295 6.677 28.401 1.00 0.98 H ATOM 220 HE2 LYS A 14 78.605 7.866 27.450 1.00 1.55 H ATOM 221 HE3 LYS A 14 78.250 8.684 28.972 1.00 1.52 H ATOM 222 HZ1 LYS A 14 80.608 9.461 27.390 1.00 2.06 H ATOM 223 HZ2 LYS A 14 79.071 10.050 26.973 1.00 2.03 H ATOM 224 HZ3 LYS A 14 79.721 10.375 28.509 1.00 2.00 H ATOM 225 N TYR A 15 77.005 3.588 31.352 1.00 0.19 N ATOM 226 CA TYR A 15 75.711 2.810 31.311 1.00 0.20 C ATOM 227 C TYR A 15 75.842 1.409 31.929 1.00 0.19 C ATOM 228 O TYR A 15 74.891 0.652 31.942 1.00 0.22 O ATOM 229 CB TYR A 15 75.306 2.655 29.843 1.00 0.21 C ATOM 230 CG TYR A 15 75.561 3.955 29.124 1.00 0.21 C ATOM 231 CD1 TYR A 15 74.567 4.950 29.108 1.00 0.29 C ATOM 232 CD2 TYR A 15 76.796 4.177 28.479 1.00 0.21 C ATOM 233 CE1 TYR A 15 74.803 6.168 28.446 1.00 0.34 C ATOM 234 CE2 TYR A 15 77.032 5.394 27.818 1.00 0.27 C ATOM 235 CZ TYR A 15 76.035 6.392 27.800 1.00 0.33 C ATOM 236 OH TYR A 15 76.266 7.588 27.152 1.00 0.40 O ATOM 237 H TYR A 15 77.830 3.184 31.013 1.00 0.19 H ATOM 238 HA TYR A 15 74.933 3.350 31.830 1.00 0.22 H ATOM 239 HB2 TYR A 15 75.891 1.870 29.384 1.00 0.21 H ATOM 240 HB3 TYR A 15 74.257 2.408 29.780 1.00 0.25 H ATOM 241 HD1 TYR A 15 73.623 4.778 29.604 1.00 0.33 H ATOM 242 HD2 TYR A 15 77.563 3.413 28.488 1.00 0.20 H ATOM 243 HE1 TYR A 15 74.039 6.932 28.433 1.00 0.41 H ATOM 244 HE2 TYR A 15 77.980 5.563 27.328 1.00 0.30 H ATOM 245 HH TYR A 15 75.866 7.535 26.281 1.00 0.92 H ATOM 246 N HIS A 16 76.995 1.028 32.396 1.00 0.18 N ATOM 247 CA HIS A 16 77.147 -0.351 32.952 1.00 0.18 C ATOM 248 C HIS A 16 76.616 -1.325 31.908 1.00 0.18 C ATOM 249 O HIS A 16 75.925 -2.277 32.214 1.00 0.21 O ATOM 250 CB HIS A 16 76.349 -0.526 34.251 1.00 0.22 C ATOM 251 CG HIS A 16 77.001 0.219 35.387 1.00 0.22 C ATOM 252 ND1 HIS A 16 78.080 -0.274 36.107 1.00 0.22 N ATOM 253 CD2 HIS A 16 76.706 1.423 35.989 1.00 0.24 C ATOM 254 CE1 HIS A 16 78.401 0.584 37.079 1.00 0.24 C ATOM 255 NE2 HIS A 16 77.590 1.647 37.053 1.00 0.26 N ATOM 256 H HIS A 16 77.765 1.624 32.346 1.00 0.18 H ATOM 257 HA HIS A 16 78.187 -0.552 33.129 1.00 0.18 H ATOM 258 HB2 HIS A 16 75.348 -0.148 34.107 1.00 0.24 H ATOM 259 HB3 HIS A 16 76.299 -1.577 34.497 1.00 0.23 H ATOM 260 HD2 HIS A 16 75.916 2.094 35.685 1.00 0.26 H ATOM 261 HE1 HIS A 16 79.196 0.433 37.795 1.00 0.25 H ATOM 262 HE2 HIS A 16 77.609 2.421 37.654 1.00 0.28 H ATOM 263 N SER A 17 76.915 -1.066 30.669 1.00 0.17 N ATOM 264 CA SER A 17 76.412 -1.939 29.583 1.00 0.19 C ATOM 265 C SER A 17 76.966 -3.354 29.744 1.00 0.19 C ATOM 266 O SER A 17 77.994 -3.567 30.356 1.00 0.19 O ATOM 267 CB SER A 17 76.847 -1.371 28.239 1.00 0.18 C ATOM 268 OG SER A 17 78.249 -1.535 28.090 1.00 0.20 O ATOM 269 H SER A 17 77.455 -0.278 30.451 1.00 0.17 H ATOM 270 HA SER A 17 75.338 -1.967 29.623 1.00 0.22 H ATOM 271 HB2 SER A 17 76.341 -1.896 27.452 1.00 0.23 H ATOM 272 HB3 SER A 17 76.590 -0.322 28.192 1.00 0.21 H ATOM 273 HG SER A 17 78.638 -0.667 27.962 1.00 0.88 H ATOM 274 N ASN A 18 76.284 -4.323 29.199 1.00 0.21 N ATOM 275 CA ASN A 18 76.754 -5.730 29.315 1.00 0.23 C ATOM 276 C ASN A 18 77.966 -5.938 28.402 1.00 0.20 C ATOM 277 O ASN A 18 78.206 -5.171 27.491 1.00 0.19 O ATOM 278 CB ASN A 18 75.620 -6.675 28.919 1.00 0.28 C ATOM 279 CG ASN A 18 74.479 -6.531 29.929 1.00 0.32 C ATOM 280 OD1 ASN A 18 74.678 -6.023 31.016 1.00 1.06 O ATOM 281 ND2 ASN A 18 73.287 -6.962 29.621 1.00 1.11 N ATOM 282 H ASN A 18 75.457 -4.124 28.714 1.00 0.23 H ATOM 283 HA ASN A 18 77.042 -5.925 30.338 1.00 0.24 H ATOM 284 HB2 ASN A 18 75.265 -6.421 27.930 1.00 0.28 H ATOM 285 HB3 ASN A 18 75.978 -7.694 28.926 1.00 0.30 H ATOM 286 HD21 ASN A 18 73.126 -7.377 28.749 1.00 1.89 H ATOM 287 HD22 ASN A 18 72.552 -6.869 30.263 1.00 1.13 H ATOM 288 N TRP A 19 78.746 -6.953 28.655 1.00 0.20 N ATOM 289 CA TRP A 19 79.959 -7.189 27.820 1.00 0.18 C ATOM 290 C TRP A 19 79.580 -7.347 26.344 1.00 0.19 C ATOM 291 O TRP A 19 80.367 -7.056 25.465 1.00 0.19 O ATOM 292 CB TRP A 19 80.692 -8.442 28.313 1.00 0.20 C ATOM 293 CG TRP A 19 79.908 -9.672 27.985 1.00 0.23 C ATOM 294 CD1 TRP A 19 79.072 -10.314 28.835 1.00 0.27 C ATOM 295 CD2 TRP A 19 79.886 -10.425 26.739 1.00 0.25 C ATOM 296 NE1 TRP A 19 78.535 -11.414 28.189 1.00 0.31 N ATOM 297 CE2 TRP A 19 79.003 -11.527 26.895 1.00 0.30 C ATOM 298 CE3 TRP A 19 80.539 -10.260 25.495 1.00 0.26 C ATOM 299 CZ2 TRP A 19 78.777 -12.437 25.852 1.00 0.34 C ATOM 300 CZ3 TRP A 19 80.314 -11.173 24.443 1.00 0.30 C ATOM 301 CH2 TRP A 19 79.435 -12.260 24.622 1.00 0.35 C ATOM 302 H TRP A 19 78.546 -7.549 29.407 1.00 0.23 H ATOM 303 HA TRP A 19 80.616 -6.344 27.915 1.00 0.17 H ATOM 304 HB2 TRP A 19 81.660 -8.499 27.838 1.00 0.19 H ATOM 305 HB3 TRP A 19 80.823 -8.377 29.383 1.00 0.22 H ATOM 306 HD1 TRP A 19 78.860 -10.016 29.851 1.00 0.29 H ATOM 307 HE1 TRP A 19 77.899 -12.047 28.584 1.00 0.35 H ATOM 308 HE3 TRP A 19 81.214 -9.429 25.350 1.00 0.23 H ATOM 309 HZ2 TRP A 19 78.103 -13.269 25.993 1.00 0.39 H ATOM 310 HZ3 TRP A 19 80.818 -11.038 23.497 1.00 0.32 H ATOM 311 HH2 TRP A 19 79.266 -12.956 23.814 1.00 0.39 H ATOM 312 N ARG A 20 78.392 -7.802 26.054 1.00 0.23 N ATOM 313 CA ARG A 20 78.004 -7.964 24.622 1.00 0.25 C ATOM 314 C ARG A 20 77.965 -6.600 23.941 1.00 0.25 C ATOM 315 O ARG A 20 78.446 -6.427 22.839 1.00 0.27 O ATOM 316 CB ARG A 20 76.608 -8.574 24.520 1.00 0.30 C ATOM 317 CG ARG A 20 76.617 -10.025 25.003 1.00 0.33 C ATOM 318 CD ARG A 20 75.324 -10.728 24.548 1.00 0.39 C ATOM 319 NE ARG A 20 74.873 -11.678 25.599 1.00 1.43 N ATOM 320 CZ ARG A 20 73.658 -12.150 25.559 1.00 1.78 C ATOM 321 NH1 ARG A 20 72.867 -11.820 24.574 1.00 1.39 N ATOM 322 NH2 ARG A 20 73.235 -12.951 26.497 1.00 2.92 N ATOM 323 H ARG A 20 77.762 -8.031 26.768 1.00 0.24 H ATOM 324 HA ARG A 20 78.717 -8.598 24.121 1.00 0.25 H ATOM 325 HB2 ARG A 20 75.925 -8.000 25.128 1.00 0.31 H ATOM 326 HB3 ARG A 20 76.282 -8.543 23.491 1.00 0.33 H ATOM 327 HG2 ARG A 20 77.477 -10.536 24.591 1.00 0.34 H ATOM 328 HG3 ARG A 20 76.673 -10.044 26.081 1.00 0.33 H ATOM 329 HD2 ARG A 20 74.543 -9.998 24.376 1.00 1.02 H ATOM 330 HD3 ARG A 20 75.510 -11.272 23.632 1.00 1.13 H ATOM 331 HE ARG A 20 75.478 -11.933 26.326 1.00 2.16 H ATOM 332 HH11 ARG A 20 73.194 -11.207 23.854 1.00 1.19 H ATOM 333 HH12 ARG A 20 71.935 -12.180 24.539 1.00 1.86 H ATOM 334 HH21 ARG A 20 73.842 -13.204 27.249 1.00 3.58 H ATOM 335 HH22 ARG A 20 72.302 -13.310 26.463 1.00 3.24 H ATOM 336 N ALA A 21 77.378 -5.634 24.586 1.00 0.25 N ATOM 337 CA ALA A 21 77.285 -4.285 23.973 1.00 0.26 C ATOM 338 C ALA A 21 78.692 -3.711 23.805 1.00 0.24 C ATOM 339 O ALA A 21 79.042 -3.194 22.764 1.00 0.25 O ATOM 340 CB ALA A 21 76.443 -3.374 24.885 1.00 0.27 C ATOM 341 H ALA A 21 76.986 -5.802 25.467 1.00 0.25 H ATOM 342 HA ALA A 21 76.814 -4.364 23.006 1.00 0.28 H ATOM 343 HB1 ALA A 21 75.782 -3.981 25.487 1.00 1.06 H ATOM 344 HB2 ALA A 21 77.092 -2.806 25.533 1.00 1.03 H ATOM 345 HB3 ALA A 21 75.856 -2.695 24.283 1.00 1.07 H ATOM 346 N MET A 22 79.499 -3.800 24.824 1.00 0.21 N ATOM 347 CA MET A 22 80.878 -3.260 24.713 1.00 0.20 C ATOM 348 C MET A 22 81.626 -4.012 23.617 1.00 0.21 C ATOM 349 O MET A 22 82.353 -3.433 22.835 1.00 0.23 O ATOM 350 CB MET A 22 81.614 -3.436 26.037 1.00 0.21 C ATOM 351 CG MET A 22 81.018 -2.493 27.081 1.00 0.25 C ATOM 352 SD MET A 22 82.083 -2.471 28.540 1.00 0.53 S ATOM 353 CE MET A 22 81.734 -4.145 29.120 1.00 0.30 C ATOM 354 H MET A 22 79.197 -4.221 25.655 1.00 0.21 H ATOM 355 HA MET A 22 80.833 -2.216 24.468 1.00 0.22 H ATOM 356 HB2 MET A 22 81.510 -4.457 26.367 1.00 0.18 H ATOM 357 HB3 MET A 22 82.660 -3.205 25.901 1.00 0.24 H ATOM 358 HG2 MET A 22 80.943 -1.496 26.673 1.00 0.30 H ATOM 359 HG3 MET A 22 80.034 -2.844 27.358 1.00 0.31 H ATOM 360 HE1 MET A 22 80.678 -4.339 29.039 1.00 1.09 H ATOM 361 HE2 MET A 22 82.281 -4.854 28.515 1.00 1.10 H ATOM 362 HE3 MET A 22 82.037 -4.236 30.154 1.00 1.07 H ATOM 363 N ALA A 23 81.451 -5.301 23.556 1.00 0.21 N ATOM 364 CA ALA A 23 82.150 -6.098 22.509 1.00 0.23 C ATOM 365 C ALA A 23 81.731 -5.600 21.123 1.00 0.25 C ATOM 366 O ALA A 23 82.545 -5.430 20.238 1.00 0.26 O ATOM 367 CB ALA A 23 81.777 -7.576 22.663 1.00 0.25 C ATOM 368 H ALA A 23 80.860 -5.746 24.204 1.00 0.20 H ATOM 369 HA ALA A 23 83.216 -5.982 22.624 1.00 0.23 H ATOM 370 HB1 ALA A 23 81.747 -7.831 23.712 1.00 1.06 H ATOM 371 HB2 ALA A 23 80.806 -7.754 22.223 1.00 1.04 H ATOM 372 HB3 ALA A 23 82.515 -8.187 22.166 1.00 1.03 H ATOM 373 N SER A 24 80.463 -5.369 20.933 1.00 0.26 N ATOM 374 CA SER A 24 79.977 -4.887 19.609 1.00 0.29 C ATOM 375 C SER A 24 80.409 -3.426 19.396 1.00 0.28 C ATOM 376 O SER A 24 80.739 -3.022 18.299 1.00 0.31 O ATOM 377 CB SER A 24 78.446 -5.019 19.563 1.00 0.32 C ATOM 378 OG SER A 24 78.075 -5.764 18.411 1.00 1.16 O ATOM 379 H SER A 24 79.827 -5.517 21.663 1.00 0.26 H ATOM 380 HA SER A 24 80.408 -5.498 18.832 1.00 0.30 H ATOM 381 HB2 SER A 24 78.109 -5.542 20.441 1.00 0.91 H ATOM 382 HB3 SER A 24 77.984 -4.040 19.535 1.00 0.90 H ATOM 383 HG SER A 24 78.208 -5.207 17.641 1.00 1.56 H ATOM 384 N ASP A 25 80.404 -2.634 20.435 1.00 0.26 N ATOM 385 CA ASP A 25 80.810 -1.203 20.289 1.00 0.27 C ATOM 386 C ASP A 25 82.253 -1.126 19.778 1.00 0.27 C ATOM 387 O ASP A 25 82.558 -0.371 18.877 1.00 0.30 O ATOM 388 CB ASP A 25 80.714 -0.502 21.664 1.00 0.25 C ATOM 389 CG ASP A 25 79.350 0.184 21.854 1.00 1.13 C ATOM 390 OD1 ASP A 25 78.538 0.134 20.946 1.00 1.86 O ATOM 391 OD2 ASP A 25 79.148 0.757 22.913 1.00 1.89 O ATOM 392 H ASP A 25 80.131 -2.980 21.310 1.00 0.25 H ATOM 393 HA ASP A 25 80.161 -0.714 19.584 1.00 0.29 H ATOM 394 HB2 ASP A 25 80.840 -1.241 22.432 1.00 0.85 H ATOM 395 HB3 ASP A 25 81.496 0.239 21.758 1.00 0.85 H ATOM 396 N PHE A 26 83.144 -1.886 20.362 1.00 0.24 N ATOM 397 CA PHE A 26 84.580 -1.847 19.936 1.00 0.25 C ATOM 398 C PHE A 26 84.940 -3.105 19.135 1.00 0.26 C ATOM 399 O PHE A 26 86.075 -3.291 18.742 1.00 0.28 O ATOM 400 CB PHE A 26 85.458 -1.753 21.184 1.00 0.24 C ATOM 401 CG PHE A 26 85.130 -0.472 21.916 1.00 0.23 C ATOM 402 CD1 PHE A 26 84.082 -0.446 22.857 1.00 0.22 C ATOM 403 CD2 PHE A 26 85.867 0.699 21.652 1.00 0.27 C ATOM 404 CE1 PHE A 26 83.771 0.751 23.533 1.00 0.23 C ATOM 405 CE2 PHE A 26 85.557 1.895 22.329 1.00 0.28 C ATOM 406 CZ PHE A 26 84.509 1.920 23.270 1.00 0.26 C ATOM 407 H PHE A 26 82.870 -2.473 21.097 1.00 0.23 H ATOM 408 HA PHE A 26 84.757 -0.977 19.319 1.00 0.27 H ATOM 409 HB2 PHE A 26 85.265 -2.599 21.827 1.00 0.23 H ATOM 410 HB3 PHE A 26 86.498 -1.747 20.895 1.00 0.26 H ATOM 411 HD1 PHE A 26 83.517 -1.343 23.060 1.00 0.23 H ATOM 412 HD2 PHE A 26 86.670 0.681 20.930 1.00 0.31 H ATOM 413 HE1 PHE A 26 82.968 0.770 24.255 1.00 0.25 H ATOM 414 HE2 PHE A 26 86.122 2.793 22.127 1.00 0.33 H ATOM 415 HZ PHE A 26 84.271 2.837 23.789 1.00 0.28 H ATOM 416 N ASN A 27 83.989 -3.961 18.874 1.00 0.26 N ATOM 417 CA ASN A 27 84.289 -5.195 18.081 1.00 0.28 C ATOM 418 C ASN A 27 85.450 -5.972 18.734 1.00 0.26 C ATOM 419 O ASN A 27 86.358 -6.425 18.065 1.00 0.27 O ATOM 420 CB ASN A 27 84.667 -4.794 16.630 1.00 0.30 C ATOM 421 CG ASN A 27 83.434 -4.804 15.715 1.00 1.24 C ATOM 422 OD1 ASN A 27 82.386 -5.301 16.076 1.00 2.05 O ATOM 423 ND2 ASN A 27 83.527 -4.279 14.524 1.00 1.92 N ATOM 424 H ASN A 27 83.077 -3.791 19.188 1.00 0.27 H ATOM 425 HA ASN A 27 83.409 -5.824 18.072 1.00 0.29 H ATOM 426 HB2 ASN A 27 85.088 -3.801 16.635 1.00 0.89 H ATOM 427 HB3 ASN A 27 85.398 -5.482 16.231 1.00 0.88 H ATOM 428 HD21 ASN A 27 84.374 -3.885 14.226 1.00 2.16 H ATOM 429 HD22 ASN A 27 82.752 -4.285 13.924 1.00 2.58 H ATOM 430 N LEU A 28 85.423 -6.142 20.031 1.00 0.25 N ATOM 431 CA LEU A 28 86.517 -6.902 20.723 1.00 0.25 C ATOM 432 C LEU A 28 85.948 -8.238 21.216 1.00 0.25 C ATOM 433 O LEU A 28 84.775 -8.330 21.519 1.00 0.28 O ATOM 434 CB LEU A 28 87.007 -6.086 21.921 1.00 0.25 C ATOM 435 CG LEU A 28 87.679 -4.792 21.426 1.00 0.27 C ATOM 436 CD1 LEU A 28 87.945 -3.854 22.613 1.00 0.28 C ATOM 437 CD2 LEU A 28 89.012 -5.121 20.715 1.00 0.31 C ATOM 438 H LEU A 28 84.678 -5.779 20.554 1.00 0.26 H ATOM 439 HA LEU A 28 87.337 -7.081 20.045 1.00 0.25 H ATOM 440 HB2 LEU A 28 86.163 -5.841 22.550 1.00 0.27 H ATOM 441 HB3 LEU A 28 87.715 -6.666 22.488 1.00 0.26 H ATOM 442 HG LEU A 28 87.015 -4.297 20.730 1.00 0.29 H ATOM 443 HD11 LEU A 28 87.106 -3.874 23.294 1.00 1.02 H ATOM 444 HD12 LEU A 28 88.837 -4.172 23.132 1.00 1.02 H ATOM 445 HD13 LEU A 28 88.084 -2.847 22.248 1.00 1.03 H ATOM 446 HD21 LEU A 28 89.481 -5.978 21.180 1.00 1.07 H ATOM 447 HD22 LEU A 28 88.821 -5.340 19.674 1.00 1.00 H ATOM 448 HD23 LEU A 28 89.680 -4.274 20.779 1.00 1.08 H ATOM 449 N PRO A 29 86.752 -9.276 21.296 1.00 0.24 N ATOM 450 CA PRO A 29 86.263 -10.603 21.762 1.00 0.25 C ATOM 451 C PRO A 29 85.680 -10.519 23.185 1.00 0.21 C ATOM 452 O PRO A 29 86.064 -9.672 23.966 1.00 0.27 O ATOM 453 CB PRO A 29 87.506 -11.518 21.713 1.00 0.28 C ATOM 454 CG PRO A 29 88.689 -10.600 21.604 1.00 0.37 C ATOM 455 CD PRO A 29 88.184 -9.307 20.956 1.00 0.25 C ATOM 456 HA PRO A 29 85.518 -10.964 21.071 1.00 0.30 H ATOM 457 HB2 PRO A 29 87.574 -12.116 22.617 1.00 0.51 H ATOM 458 HB3 PRO A 29 87.461 -12.166 20.847 1.00 0.44 H ATOM 459 HG2 PRO A 29 89.090 -10.393 22.587 1.00 0.71 H ATOM 460 HG3 PRO A 29 89.453 -11.044 20.981 1.00 0.55 H ATOM 461 HD2 PRO A 29 88.698 -8.451 21.370 1.00 0.30 H ATOM 462 HD3 PRO A 29 88.310 -9.345 19.884 1.00 0.27 H ATOM 463 N PRO A 30 84.748 -11.382 23.512 1.00 0.19 N ATOM 464 CA PRO A 30 84.100 -11.385 24.850 1.00 0.18 C ATOM 465 C PRO A 30 85.111 -11.242 25.993 1.00 0.16 C ATOM 466 O PRO A 30 84.821 -10.669 27.022 1.00 0.18 O ATOM 467 CB PRO A 30 83.385 -12.753 24.941 1.00 0.20 C ATOM 468 CG PRO A 30 83.423 -13.372 23.563 1.00 0.49 C ATOM 469 CD PRO A 30 84.220 -12.438 22.637 1.00 0.28 C ATOM 470 HA PRO A 30 83.374 -10.591 24.907 1.00 0.20 H ATOM 471 HB2 PRO A 30 83.899 -13.397 25.647 1.00 0.37 H ATOM 472 HB3 PRO A 30 82.359 -12.615 25.258 1.00 0.39 H ATOM 473 HG2 PRO A 30 83.905 -14.344 23.608 1.00 0.78 H ATOM 474 HG3 PRO A 30 82.417 -13.491 23.179 1.00 0.83 H ATOM 475 HD2 PRO A 30 85.034 -12.975 22.166 1.00 0.28 H ATOM 476 HD3 PRO A 30 83.575 -12.004 21.885 1.00 0.38 H ATOM 477 N VAL A 31 86.278 -11.787 25.827 1.00 0.16 N ATOM 478 CA VAL A 31 87.291 -11.723 26.914 1.00 0.18 C ATOM 479 C VAL A 31 87.578 -10.279 27.279 1.00 0.15 C ATOM 480 O VAL A 31 87.569 -9.912 28.437 1.00 0.15 O ATOM 481 CB VAL A 31 88.582 -12.402 26.422 1.00 0.23 C ATOM 482 CG1 VAL A 31 89.700 -12.314 27.489 1.00 0.30 C ATOM 483 CG2 VAL A 31 88.279 -13.886 26.076 1.00 0.27 C ATOM 484 H VAL A 31 86.480 -12.265 24.996 1.00 0.18 H ATOM 485 HA VAL A 31 86.919 -12.241 27.777 1.00 0.19 H ATOM 486 HB VAL A 31 88.920 -11.891 25.530 1.00 0.27 H ATOM 487 HG11 VAL A 31 89.707 -11.342 27.958 1.00 1.04 H ATOM 488 HG12 VAL A 31 89.545 -13.072 28.237 1.00 1.08 H ATOM 489 HG13 VAL A 31 90.653 -12.476 27.014 1.00 1.07 H ATOM 490 HG21 VAL A 31 87.340 -14.191 26.521 1.00 1.10 H ATOM 491 HG22 VAL A 31 88.210 -13.999 25.005 1.00 1.01 H ATOM 492 HG23 VAL A 31 89.065 -14.522 26.447 1.00 1.05 H ATOM 493 N VAL A 32 87.849 -9.456 26.323 1.00 0.15 N ATOM 494 CA VAL A 32 88.151 -8.052 26.671 1.00 0.14 C ATOM 495 C VAL A 32 86.901 -7.403 27.264 1.00 0.12 C ATOM 496 O VAL A 32 86.952 -6.766 28.298 1.00 0.12 O ATOM 497 CB VAL A 32 88.593 -7.279 25.424 1.00 0.15 C ATOM 498 CG1 VAL A 32 88.914 -5.803 25.797 1.00 0.17 C ATOM 499 CG2 VAL A 32 89.829 -7.968 24.817 1.00 0.18 C ATOM 500 H VAL A 32 87.867 -9.762 25.391 1.00 0.16 H ATOM 501 HA VAL A 32 88.942 -8.034 27.403 1.00 0.14 H ATOM 502 HB VAL A 32 87.786 -7.300 24.705 1.00 0.16 H ATOM 503 HG11 VAL A 32 88.679 -5.627 26.834 1.00 1.03 H ATOM 504 HG12 VAL A 32 89.962 -5.589 25.640 1.00 1.02 H ATOM 505 HG13 VAL A 32 88.322 -5.136 25.186 1.00 1.03 H ATOM 506 HG21 VAL A 32 90.507 -8.261 25.607 1.00 1.04 H ATOM 507 HG22 VAL A 32 89.516 -8.842 24.269 1.00 1.02 H ATOM 508 HG23 VAL A 32 90.331 -7.287 24.145 1.00 1.05 H ATOM 509 N ALA A 33 85.782 -7.551 26.618 1.00 0.13 N ATOM 510 CA ALA A 33 84.539 -6.930 27.148 1.00 0.14 C ATOM 511 C ALA A 33 84.154 -7.574 28.482 1.00 0.13 C ATOM 512 O ALA A 33 83.779 -6.895 29.419 1.00 0.13 O ATOM 513 CB ALA A 33 83.404 -7.122 26.139 1.00 0.17 C ATOM 514 H ALA A 33 85.761 -8.063 25.780 1.00 0.15 H ATOM 515 HA ALA A 33 84.706 -5.874 27.301 1.00 0.14 H ATOM 516 HB1 ALA A 33 83.716 -6.757 25.172 1.00 1.01 H ATOM 517 HB2 ALA A 33 83.161 -8.172 26.066 1.00 1.04 H ATOM 518 HB3 ALA A 33 82.534 -6.573 26.468 1.00 1.04 H ATOM 519 N LYS A 34 84.238 -8.874 28.589 1.00 0.14 N ATOM 520 CA LYS A 34 83.865 -9.521 29.877 1.00 0.15 C ATOM 521 C LYS A 34 84.841 -9.112 30.979 1.00 0.14 C ATOM 522 O LYS A 34 84.462 -8.974 32.125 1.00 0.14 O ATOM 523 CB LYS A 34 83.829 -11.045 29.725 1.00 0.20 C ATOM 524 CG LYS A 34 82.582 -11.426 28.901 1.00 0.25 C ATOM 525 CD LYS A 34 82.452 -12.959 28.663 1.00 0.67 C ATOM 526 CE LYS A 34 83.138 -13.788 29.758 1.00 1.12 C ATOM 527 NZ LYS A 34 82.868 -15.233 29.515 1.00 1.77 N ATOM 528 H LYS A 34 84.545 -9.419 27.830 1.00 0.16 H ATOM 529 HA LYS A 34 82.879 -9.178 30.156 1.00 0.16 H ATOM 530 HB2 LYS A 34 84.724 -11.385 29.225 1.00 0.20 H ATOM 531 HB3 LYS A 34 83.770 -11.486 30.704 1.00 0.21 H ATOM 532 HG2 LYS A 34 81.703 -11.077 29.425 1.00 0.70 H ATOM 533 HG3 LYS A 34 82.634 -10.924 27.945 1.00 0.64 H ATOM 534 HD2 LYS A 34 81.404 -13.223 28.639 1.00 1.41 H ATOM 535 HD3 LYS A 34 82.890 -13.206 27.709 1.00 1.42 H ATOM 536 HE2 LYS A 34 84.204 -13.615 29.730 1.00 1.77 H ATOM 537 HE3 LYS A 34 82.747 -13.511 30.725 1.00 1.76 H ATOM 538 HZ1 LYS A 34 82.082 -15.331 28.842 1.00 2.22 H ATOM 539 HZ2 LYS A 34 83.717 -15.685 29.122 1.00 2.19 H ATOM 540 HZ3 LYS A 34 82.614 -15.692 30.414 1.00 2.28 H ATOM 541 N GLU A 35 86.090 -8.918 30.661 1.00 0.13 N ATOM 542 CA GLU A 35 87.055 -8.521 31.723 1.00 0.14 C ATOM 543 C GLU A 35 86.603 -7.196 32.340 1.00 0.13 C ATOM 544 O GLU A 35 86.672 -7.003 33.535 1.00 0.15 O ATOM 545 CB GLU A 35 88.459 -8.372 31.121 1.00 0.17 C ATOM 546 CG GLU A 35 89.522 -8.289 32.232 1.00 0.23 C ATOM 547 CD GLU A 35 89.610 -6.863 32.795 1.00 0.28 C ATOM 548 OE1 GLU A 35 90.374 -6.079 32.259 1.00 1.12 O ATOM 549 OE2 GLU A 35 88.926 -6.583 33.762 1.00 1.11 O ATOM 550 H GLU A 35 86.393 -9.031 29.733 1.00 0.14 H ATOM 551 HA GLU A 35 87.067 -9.284 32.487 1.00 0.16 H ATOM 552 HB2 GLU A 35 88.668 -9.226 30.492 1.00 0.17 H ATOM 553 HB3 GLU A 35 88.498 -7.473 30.522 1.00 0.17 H ATOM 554 HG2 GLU A 35 89.268 -8.971 33.031 1.00 0.26 H ATOM 555 HG3 GLU A 35 90.479 -8.568 31.824 1.00 0.24 H ATOM 556 N ILE A 36 86.126 -6.278 31.545 1.00 0.13 N ATOM 557 CA ILE A 36 85.677 -4.981 32.125 1.00 0.14 C ATOM 558 C ILE A 36 84.558 -5.235 33.129 1.00 0.13 C ATOM 559 O ILE A 36 84.505 -4.625 34.179 1.00 0.15 O ATOM 560 CB ILE A 36 85.163 -4.060 31.020 1.00 0.15 C ATOM 561 CG1 ILE A 36 86.313 -3.805 30.029 1.00 0.17 C ATOM 562 CG2 ILE A 36 84.662 -2.721 31.637 1.00 0.18 C ATOM 563 CD1 ILE A 36 85.832 -2.930 28.843 1.00 0.19 C ATOM 564 H ILE A 36 86.061 -6.439 30.579 1.00 0.13 H ATOM 565 HA ILE A 36 86.507 -4.510 32.628 1.00 0.15 H ATOM 566 HB ILE A 36 84.348 -4.549 30.503 1.00 0.16 H ATOM 567 HG12 ILE A 36 87.120 -3.304 30.548 1.00 0.20 H ATOM 568 HG13 ILE A 36 86.671 -4.754 29.655 1.00 0.22 H ATOM 569 HG21 ILE A 36 84.959 -2.654 32.676 1.00 1.03 H ATOM 570 HG22 ILE A 36 85.078 -1.882 31.099 1.00 1.02 H ATOM 571 HG23 ILE A 36 83.584 -2.676 31.578 1.00 1.05 H ATOM 572 HD11 ILE A 36 84.781 -2.694 28.949 1.00 0.97 H ATOM 573 HD12 ILE A 36 86.402 -2.010 28.823 1.00 1.00 H ATOM 574 HD13 ILE A 36 85.980 -3.461 27.913 1.00 1.02 H ATOM 575 N VAL A 37 83.668 -6.133 32.825 1.00 0.13 N ATOM 576 CA VAL A 37 82.565 -6.421 33.779 1.00 0.15 C ATOM 577 C VAL A 37 83.183 -6.943 35.072 1.00 0.17 C ATOM 578 O VAL A 37 82.758 -6.613 36.162 1.00 0.19 O ATOM 579 CB VAL A 37 81.631 -7.488 33.192 1.00 0.18 C ATOM 580 CG1 VAL A 37 80.575 -7.921 34.251 1.00 0.23 C ATOM 581 CG2 VAL A 37 80.948 -6.913 31.940 1.00 0.20 C ATOM 582 H VAL A 37 83.729 -6.621 31.976 1.00 0.13 H ATOM 583 HA VAL A 37 82.009 -5.517 33.979 1.00 0.15 H ATOM 584 HB VAL A 37 82.224 -8.349 32.907 1.00 0.18 H ATOM 585 HG11 VAL A 37 80.580 -7.232 35.086 1.00 1.04 H ATOM 586 HG12 VAL A 37 79.586 -7.932 33.814 1.00 1.04 H ATOM 587 HG13 VAL A 37 80.810 -8.913 34.612 1.00 1.01 H ATOM 588 HG21 VAL A 37 80.524 -5.948 32.173 1.00 1.04 H ATOM 589 HG22 VAL A 37 81.680 -6.803 31.153 1.00 0.97 H ATOM 590 HG23 VAL A 37 80.167 -7.582 31.611 1.00 1.02 H ATOM 591 N ALA A 38 84.189 -7.760 34.949 1.00 0.18 N ATOM 592 CA ALA A 38 84.859 -8.320 36.152 1.00 0.22 C ATOM 593 C ALA A 38 85.490 -7.194 36.977 1.00 0.22 C ATOM 594 O ALA A 38 85.635 -7.303 38.177 1.00 0.27 O ATOM 595 CB ALA A 38 85.932 -9.309 35.702 1.00 0.23 C ATOM 596 H ALA A 38 84.508 -8.004 34.056 1.00 0.17 H ATOM 597 HA ALA A 38 84.129 -8.839 36.756 1.00 0.25 H ATOM 598 HB1 ALA A 38 86.463 -8.906 34.855 1.00 1.02 H ATOM 599 HB2 ALA A 38 86.625 -9.489 36.510 1.00 1.09 H ATOM 600 HB3 ALA A 38 85.459 -10.235 35.418 1.00 1.03 H ATOM 601 N SER A 39 85.860 -6.105 36.360 1.00 0.20 N ATOM 602 CA SER A 39 86.465 -4.991 37.147 1.00 0.24 C ATOM 603 C SER A 39 85.338 -4.185 37.790 1.00 0.23 C ATOM 604 O SER A 39 85.524 -3.517 38.788 1.00 0.27 O ATOM 605 CB SER A 39 87.278 -4.083 36.226 1.00 0.26 C ATOM 606 OG SER A 39 88.403 -4.799 35.733 1.00 0.30 O ATOM 607 H SER A 39 85.736 -6.017 35.393 1.00 0.18 H ATOM 608 HA SER A 39 87.106 -5.394 37.919 1.00 0.29 H ATOM 609 HB2 SER A 39 86.667 -3.767 35.397 1.00 0.24 H ATOM 610 HB3 SER A 39 87.607 -3.213 36.779 1.00 0.31 H ATOM 611 HG SER A 39 88.100 -5.382 35.034 1.00 0.92 H ATOM 612 N CYS A 40 84.161 -4.256 37.229 1.00 0.20 N ATOM 613 CA CYS A 40 83.008 -3.511 37.807 1.00 0.21 C ATOM 614 C CYS A 40 82.377 -4.348 38.921 1.00 0.23 C ATOM 615 O CYS A 40 81.659 -5.296 38.671 1.00 0.23 O ATOM 616 CB CYS A 40 81.970 -3.247 36.719 1.00 0.20 C ATOM 617 SG CYS A 40 80.548 -2.396 37.445 1.00 0.21 S ATOM 618 H CYS A 40 84.034 -4.810 36.430 1.00 0.19 H ATOM 619 HA CYS A 40 83.350 -2.570 38.213 1.00 0.23 H ATOM 620 HB2 CYS A 40 82.405 -2.629 35.947 1.00 0.20 H ATOM 621 HB3 CYS A 40 81.650 -4.185 36.292 1.00 0.20 H ATOM 622 N ASP A 41 82.644 -4.004 40.147 1.00 0.26 N ATOM 623 CA ASP A 41 82.071 -4.771 41.288 1.00 0.30 C ATOM 624 C ASP A 41 80.542 -4.720 41.240 1.00 0.29 C ATOM 625 O ASP A 41 79.869 -5.626 41.688 1.00 0.32 O ATOM 626 CB ASP A 41 82.555 -4.160 42.603 1.00 0.35 C ATOM 627 CG ASP A 41 84.055 -4.414 42.763 1.00 0.38 C ATOM 628 OD1 ASP A 41 84.557 -5.311 42.105 1.00 1.10 O ATOM 629 OD2 ASP A 41 84.676 -3.707 43.539 1.00 1.17 O ATOM 630 H ASP A 41 83.228 -3.237 40.321 1.00 0.28 H ATOM 631 HA ASP A 41 82.398 -5.798 41.229 1.00 0.30 H ATOM 632 HB2 ASP A 41 82.367 -3.096 42.596 1.00 0.36 H ATOM 633 HB3 ASP A 41 82.026 -4.614 43.427 1.00 0.37 H ATOM 634 N LYS A 42 79.987 -3.658 40.722 1.00 0.28 N ATOM 635 CA LYS A 42 78.502 -3.547 40.674 1.00 0.31 C ATOM 636 C LYS A 42 77.917 -4.557 39.686 1.00 0.31 C ATOM 637 O LYS A 42 76.906 -5.179 39.949 1.00 0.49 O ATOM 638 CB LYS A 42 78.112 -2.140 40.214 1.00 0.32 C ATOM 639 CG LYS A 42 78.434 -1.114 41.304 1.00 0.35 C ATOM 640 CD LYS A 42 78.026 0.297 40.815 1.00 0.39 C ATOM 641 CE LYS A 42 77.703 1.234 41.999 1.00 0.94 C ATOM 642 NZ LYS A 42 78.937 1.953 42.423 1.00 1.73 N ATOM 643 H LYS A 42 80.546 -2.929 40.381 1.00 0.27 H ATOM 644 HA LYS A 42 78.094 -3.725 41.659 1.00 0.34 H ATOM 645 HB2 LYS A 42 78.665 -1.893 39.316 1.00 0.30 H ATOM 646 HB3 LYS A 42 77.055 -2.114 39.999 1.00 0.35 H ATOM 647 HG2 LYS A 42 77.890 -1.374 42.200 1.00 0.39 H ATOM 648 HG3 LYS A 42 79.494 -1.130 41.511 1.00 0.36 H ATOM 649 HD2 LYS A 42 78.842 0.721 40.246 1.00 0.77 H ATOM 650 HD3 LYS A 42 77.155 0.222 40.176 1.00 0.83 H ATOM 651 HE2 LYS A 42 76.965 1.959 41.688 1.00 1.61 H ATOM 652 HE3 LYS A 42 77.312 0.671 42.831 1.00 1.53 H ATOM 653 HZ1 LYS A 42 79.481 2.235 41.582 1.00 2.28 H ATOM 654 HZ2 LYS A 42 78.673 2.800 42.965 1.00 2.26 H ATOM 655 HZ3 LYS A 42 79.515 1.330 43.020 1.00 2.17 H ATOM 656 N CYS A 43 78.532 -4.723 38.548 1.00 0.28 N ATOM 657 CA CYS A 43 77.994 -5.688 37.545 1.00 0.27 C ATOM 658 C CYS A 43 78.514 -7.098 37.842 1.00 0.31 C ATOM 659 O CYS A 43 77.918 -8.080 37.446 1.00 0.40 O ATOM 660 CB CYS A 43 78.431 -5.262 36.143 1.00 0.25 C ATOM 661 SG CYS A 43 77.545 -3.753 35.669 1.00 0.25 S ATOM 662 H CYS A 43 79.341 -4.208 38.348 1.00 0.38 H ATOM 663 HA CYS A 43 76.914 -5.692 37.592 1.00 0.30 H ATOM 664 HB2 CYS A 43 79.493 -5.074 36.142 1.00 0.24 H ATOM 665 HB3 CYS A 43 78.203 -6.050 35.440 1.00 0.26 H ATOM 666 N GLN A 44 79.617 -7.214 38.536 1.00 0.33 N ATOM 667 CA GLN A 44 80.148 -8.576 38.843 1.00 0.39 C ATOM 668 C GLN A 44 79.347 -9.172 39.999 1.00 0.41 C ATOM 669 O GLN A 44 78.549 -10.066 39.807 1.00 0.56 O ATOM 670 CB GLN A 44 81.623 -8.486 39.237 1.00 0.51 C ATOM 671 CG GLN A 44 82.200 -9.900 39.350 1.00 0.61 C ATOM 672 CD GLN A 44 83.620 -9.829 39.907 1.00 0.77 C ATOM 673 OE1 GLN A 44 84.449 -8.946 39.431 1.00 1.17 O ATOM 674 NE2 GLN A 44 83.979 -10.587 40.787 1.00 1.03 N ATOM 675 H GLN A 44 80.089 -6.415 38.850 1.00 0.38 H ATOM 676 HA GLN A 44 80.045 -9.206 37.975 1.00 0.46 H ATOM 677 HB2 GLN A 44 82.163 -7.934 38.481 1.00 0.56 H ATOM 678 HB3 GLN A 44 81.714 -7.984 40.187 1.00 0.53 H ATOM 679 HG2 GLN A 44 81.584 -10.491 40.011 1.00 0.58 H ATOM 680 HG3 GLN A 44 82.222 -10.358 38.372 1.00 0.66 H ATOM 681 HE21 GLN A 44 84.124 -11.536 40.588 1.00 1.56 H ATOM 682 HE22 GLN A 44 84.124 -10.249 41.696 1.00 1.28 H ATOM 683 N LEU A 45 79.513 -8.668 41.193 1.00 0.42 N ATOM 684 CA LEU A 45 78.704 -9.210 42.321 1.00 0.53 C ATOM 685 C LEU A 45 77.328 -8.571 42.193 1.00 0.67 C ATOM 686 O LEU A 45 77.130 -7.400 42.451 1.00 1.01 O ATOM 687 CB LEU A 45 79.352 -8.874 43.676 1.00 0.63 C ATOM 688 CG LEU A 45 80.874 -9.136 43.640 1.00 0.63 C ATOM 689 CD1 LEU A 45 81.510 -8.581 44.921 1.00 0.84 C ATOM 690 CD2 LEU A 45 81.182 -10.649 43.537 1.00 0.65 C ATOM 691 H LEU A 45 80.137 -7.927 41.336 1.00 0.45 H ATOM 692 HA LEU A 45 78.593 -10.277 42.212 1.00 0.57 H ATOM 693 HB2 LEU A 45 79.177 -7.833 43.904 1.00 0.69 H ATOM 694 HB3 LEU A 45 78.904 -9.486 44.444 1.00 0.73 H ATOM 695 HG LEU A 45 81.301 -8.625 42.788 1.00 0.58 H ATOM 696 HD11 LEU A 45 81.215 -7.551 45.052 1.00 1.36 H ATOM 697 HD12 LEU A 45 81.179 -9.159 45.772 1.00 1.36 H ATOM 698 HD13 LEU A 45 82.586 -8.640 44.843 1.00 1.32 H ATOM 699 HD21 LEU A 45 80.452 -11.137 42.921 1.00 1.15 H ATOM 700 HD22 LEU A 45 82.160 -10.783 43.097 1.00 1.23 H ATOM 701 HD23 LEU A 45 81.171 -11.099 44.519 1.00 1.20 H ATOM 702 N LYS A 46 76.400 -9.341 41.703 1.00 0.86 N ATOM 703 CA LYS A 46 75.024 -8.841 41.430 1.00 1.00 C ATOM 704 C LYS A 46 74.016 -9.380 42.459 1.00 1.49 C ATOM 705 O LYS A 46 72.823 -9.208 42.317 1.00 2.23 O ATOM 706 CB LYS A 46 74.672 -9.348 40.030 1.00 1.28 C ATOM 707 CG LYS A 46 73.486 -8.589 39.438 1.00 1.71 C ATOM 708 CD LYS A 46 73.061 -9.281 38.138 1.00 2.06 C ATOM 709 CE LYS A 46 71.728 -8.709 37.639 1.00 2.79 C ATOM 710 NZ LYS A 46 71.694 -8.785 36.153 1.00 3.32 N ATOM 711 H LYS A 46 76.629 -10.258 41.457 1.00 1.12 H ATOM 712 HA LYS A 46 75.011 -7.763 41.435 1.00 0.91 H ATOM 713 HB2 LYS A 46 75.531 -9.217 39.386 1.00 1.62 H ATOM 714 HB3 LYS A 46 74.434 -10.398 40.088 1.00 1.87 H ATOM 715 HG2 LYS A 46 72.665 -8.586 40.132 1.00 2.27 H ATOM 716 HG3 LYS A 46 73.780 -7.573 39.219 1.00 2.10 H ATOM 717 HD2 LYS A 46 73.821 -9.123 37.386 1.00 2.31 H ATOM 718 HD3 LYS A 46 72.952 -10.342 38.315 1.00 2.36 H ATOM 719 HE2 LYS A 46 70.910 -9.286 38.047 1.00 3.24 H ATOM 720 HE3 LYS A 46 71.629 -7.678 37.947 1.00 3.19 H ATOM 721 HZ1 LYS A 46 72.550 -9.272 35.812 1.00 3.66 H ATOM 722 HZ2 LYS A 46 70.851 -9.312 35.851 1.00 3.58 H ATOM 723 HZ3 LYS A 46 71.661 -7.825 35.758 1.00 3.68 H ATOM 724 N GLY A 47 74.467 -10.034 43.492 1.00 1.78 N ATOM 725 CA GLY A 47 73.504 -10.573 44.503 1.00 2.33 C ATOM 726 C GLY A 47 74.080 -11.841 45.132 1.00 1.98 C ATOM 727 O GLY A 47 74.246 -11.930 46.331 1.00 2.24 O ATOM 728 H GLY A 47 75.430 -10.174 43.605 1.00 2.08 H ATOM 729 HA2 GLY A 47 73.336 -9.832 45.271 1.00 2.91 H ATOM 730 HA3 GLY A 47 72.564 -10.812 44.023 1.00 2.86 H TER 731 GLY A 47 ATOM 732 N PHE B 1 93.693 -14.109 21.379 1.00 0.36 N ATOM 733 CA PHE B 1 92.861 -13.965 22.608 1.00 0.28 C ATOM 734 C PHE B 1 92.372 -15.340 23.067 1.00 0.26 C ATOM 735 O PHE B 1 92.730 -15.820 24.124 1.00 0.33 O ATOM 736 CB PHE B 1 91.640 -13.088 22.310 1.00 0.23 C ATOM 737 CG PHE B 1 92.057 -11.646 22.140 1.00 0.23 C ATOM 738 CD1 PHE B 1 92.588 -11.206 20.912 1.00 0.29 C ATOM 739 CD2 PHE B 1 91.905 -10.738 23.207 1.00 0.23 C ATOM 740 CE1 PHE B 1 92.966 -9.859 20.750 1.00 0.32 C ATOM 741 CE2 PHE B 1 92.286 -9.392 23.045 1.00 0.25 C ATOM 742 CZ PHE B 1 92.816 -8.953 21.817 1.00 0.29 C ATOM 743 H1 PHE B 1 94.401 -14.856 21.526 1.00 1.04 H ATOM 744 H2 PHE B 1 93.085 -14.365 20.576 1.00 1.03 H ATOM 745 H3 PHE B 1 94.174 -13.208 21.179 1.00 1.08 H ATOM 746 HA PHE B 1 93.448 -13.509 23.391 1.00 0.35 H ATOM 747 HB2 PHE B 1 91.168 -13.432 21.401 1.00 0.24 H ATOM 748 HB3 PHE B 1 90.937 -13.162 23.127 1.00 0.24 H ATOM 749 HD1 PHE B 1 92.704 -11.902 20.093 1.00 0.33 H ATOM 750 HD2 PHE B 1 91.497 -11.073 24.152 1.00 0.23 H ATOM 751 HE1 PHE B 1 93.373 -9.522 19.808 1.00 0.38 H ATOM 752 HE2 PHE B 1 92.173 -8.698 23.864 1.00 0.27 H ATOM 753 HZ PHE B 1 93.103 -7.918 21.692 1.00 0.32 H ATOM 754 N LEU B 2 91.534 -15.963 22.285 1.00 0.22 N ATOM 755 CA LEU B 2 90.987 -17.293 22.673 1.00 0.24 C ATOM 756 C LEU B 2 92.066 -18.373 22.552 1.00 0.26 C ATOM 757 O LEU B 2 92.081 -19.323 23.303 1.00 0.28 O ATOM 758 CB LEU B 2 89.818 -17.646 21.746 1.00 0.25 C ATOM 759 CG LEU B 2 88.841 -16.460 21.654 1.00 0.26 C ATOM 760 CD1 LEU B 2 87.583 -16.857 20.837 1.00 0.36 C ATOM 761 CD2 LEU B 2 88.436 -16.019 23.069 1.00 0.33 C ATOM 762 H LEU B 2 91.247 -15.544 21.447 1.00 0.21 H ATOM 763 HA LEU B 2 90.638 -17.257 23.692 1.00 0.27 H ATOM 764 HB2 LEU B 2 90.198 -17.874 20.761 1.00 0.26 H ATOM 765 HB3 LEU B 2 89.297 -18.507 22.137 1.00 0.30 H ATOM 766 HG LEU B 2 89.342 -15.636 21.158 1.00 0.26 H ATOM 767 HD11 LEU B 2 87.787 -17.740 20.246 1.00 1.00 H ATOM 768 HD12 LEU B 2 86.754 -17.061 21.503 1.00 1.10 H ATOM 769 HD13 LEU B 2 87.311 -16.047 20.174 1.00 1.12 H ATOM 770 HD21 LEU B 2 88.258 -16.890 23.684 1.00 1.05 H ATOM 771 HD22 LEU B 2 89.230 -15.429 23.500 1.00 1.07 H ATOM 772 HD23 LEU B 2 87.535 -15.426 23.017 1.00 1.10 H ATOM 773 N ASP B 3 92.956 -18.250 21.607 1.00 0.29 N ATOM 774 CA ASP B 3 94.013 -19.296 21.437 1.00 0.32 C ATOM 775 C ASP B 3 94.907 -19.363 22.686 1.00 0.29 C ATOM 776 O ASP B 3 95.015 -20.391 23.327 1.00 0.31 O ATOM 777 CB ASP B 3 94.872 -18.945 20.195 1.00 0.39 C ATOM 778 CG ASP B 3 94.400 -19.719 18.953 1.00 1.49 C ATOM 779 OD1 ASP B 3 93.349 -20.336 19.015 1.00 2.33 O ATOM 780 OD2 ASP B 3 95.104 -19.677 17.957 1.00 2.16 O ATOM 781 H ASP B 3 92.922 -17.483 20.998 1.00 0.32 H ATOM 782 HA ASP B 3 93.544 -20.255 21.299 1.00 0.35 H ATOM 783 HB2 ASP B 3 94.787 -17.887 19.999 1.00 0.97 H ATOM 784 HB3 ASP B 3 95.911 -19.185 20.384 1.00 0.99 H ATOM 785 N GLY B 4 95.561 -18.290 23.023 1.00 0.31 N ATOM 786 CA GLY B 4 96.462 -18.310 24.213 1.00 0.32 C ATOM 787 C GLY B 4 95.670 -18.655 25.475 1.00 0.26 C ATOM 788 O GLY B 4 96.103 -19.436 26.298 1.00 0.26 O ATOM 789 H GLY B 4 95.473 -17.477 22.485 1.00 0.36 H ATOM 790 HA2 GLY B 4 97.235 -19.049 24.062 1.00 0.35 H ATOM 791 HA3 GLY B 4 96.916 -17.338 24.333 1.00 0.37 H ATOM 792 N ILE B 5 94.521 -18.071 25.637 1.00 0.23 N ATOM 793 CA ILE B 5 93.699 -18.346 26.848 1.00 0.20 C ATOM 794 C ILE B 5 93.348 -19.829 26.929 1.00 0.19 C ATOM 795 O ILE B 5 93.351 -20.415 27.994 1.00 0.18 O ATOM 796 CB ILE B 5 92.429 -17.497 26.788 1.00 0.22 C ATOM 797 CG1 ILE B 5 92.834 -16.035 26.995 1.00 0.28 C ATOM 798 CG2 ILE B 5 91.458 -17.924 27.896 1.00 0.25 C ATOM 799 CD1 ILE B 5 91.679 -15.082 26.646 1.00 0.34 C ATOM 800 H ILE B 5 94.197 -17.437 24.963 1.00 0.25 H ATOM 801 HA ILE B 5 94.265 -18.072 27.727 1.00 0.20 H ATOM 802 HB ILE B 5 91.961 -17.618 25.823 1.00 0.23 H ATOM 803 HG12 ILE B 5 93.108 -15.906 28.029 1.00 0.30 H ATOM 804 HG13 ILE B 5 93.688 -15.809 26.371 1.00 0.28 H ATOM 805 HG21 ILE B 5 92.006 -18.091 28.812 1.00 1.05 H ATOM 806 HG22 ILE B 5 90.724 -17.148 28.054 1.00 1.06 H ATOM 807 HG23 ILE B 5 90.958 -18.836 27.606 1.00 1.01 H ATOM 808 HD11 ILE B 5 91.068 -15.511 25.867 1.00 1.07 H ATOM 809 HD12 ILE B 5 91.077 -14.907 27.525 1.00 1.03 H ATOM 810 HD13 ILE B 5 92.086 -14.143 26.299 1.00 1.12 H ATOM 811 N ASP B 6 93.035 -20.445 25.827 1.00 0.21 N ATOM 812 CA ASP B 6 92.678 -21.887 25.878 1.00 0.23 C ATOM 813 C ASP B 6 93.816 -22.638 26.581 1.00 0.23 C ATOM 814 O ASP B 6 93.589 -23.440 27.465 1.00 0.23 O ATOM 815 CB ASP B 6 92.477 -22.412 24.436 1.00 0.28 C ATOM 816 CG ASP B 6 91.300 -23.394 24.372 1.00 1.11 C ATOM 817 OD1 ASP B 6 90.305 -23.143 25.032 1.00 1.84 O ATOM 818 OD2 ASP B 6 91.408 -24.370 23.649 1.00 1.87 O ATOM 819 H ASP B 6 93.028 -19.962 24.974 1.00 0.23 H ATOM 820 HA ASP B 6 91.772 -22.003 26.451 1.00 0.24 H ATOM 821 HB2 ASP B 6 92.275 -21.579 23.783 1.00 0.76 H ATOM 822 HB3 ASP B 6 93.374 -22.912 24.097 1.00 0.91 H ATOM 823 N LYS B 7 95.038 -22.360 26.215 1.00 0.24 N ATOM 824 CA LYS B 7 96.185 -23.037 26.889 1.00 0.26 C ATOM 825 C LYS B 7 96.286 -22.543 28.330 1.00 0.22 C ATOM 826 O LYS B 7 96.374 -23.314 29.265 1.00 0.24 O ATOM 827 CB LYS B 7 97.500 -22.675 26.184 1.00 0.30 C ATOM 828 CG LYS B 7 97.694 -23.505 24.914 1.00 0.93 C ATOM 829 CD LYS B 7 99.082 -23.180 24.317 1.00 1.01 C ATOM 830 CE LYS B 7 99.547 -24.276 23.335 1.00 1.71 C ATOM 831 NZ LYS B 7 99.192 -23.877 21.947 1.00 2.41 N ATOM 832 H LYS B 7 95.200 -21.693 25.515 1.00 0.25 H ATOM 833 HA LYS B 7 96.041 -24.104 26.878 1.00 0.28 H ATOM 834 HB2 LYS B 7 97.484 -21.628 25.923 1.00 0.91 H ATOM 835 HB3 LYS B 7 98.328 -22.860 26.856 1.00 0.75 H ATOM 836 HG2 LYS B 7 97.628 -24.554 25.163 1.00 1.35 H ATOM 837 HG3 LYS B 7 96.926 -23.253 24.198 1.00 1.48 H ATOM 838 HD2 LYS B 7 99.024 -22.239 23.790 1.00 1.18 H ATOM 839 HD3 LYS B 7 99.807 -23.090 25.115 1.00 1.30 H ATOM 840 HE2 LYS B 7 100.620 -24.390 23.405 1.00 2.28 H ATOM 841 HE3 LYS B 7 99.076 -25.219 23.570 1.00 2.11 H ATOM 842 HZ1 LYS B 7 98.207 -23.546 21.920 1.00 2.82 H ATOM 843 HZ2 LYS B 7 99.822 -23.110 21.635 1.00 2.80 H ATOM 844 HZ3 LYS B 7 99.301 -24.696 21.315 1.00 2.86 H ATOM 845 N ALA B 8 96.301 -21.254 28.502 1.00 0.20 N ATOM 846 CA ALA B 8 96.429 -20.682 29.864 1.00 0.19 C ATOM 847 C ALA B 8 95.249 -21.144 30.719 1.00 0.17 C ATOM 848 O ALA B 8 95.382 -21.357 31.908 1.00 0.17 O ATOM 849 CB ALA B 8 96.469 -19.140 29.760 1.00 0.20 C ATOM 850 H ALA B 8 96.247 -20.658 27.725 1.00 0.21 H ATOM 851 HA ALA B 8 97.347 -21.039 30.310 1.00 0.20 H ATOM 852 HB1 ALA B 8 96.276 -18.850 28.737 1.00 0.99 H ATOM 853 HB2 ALA B 8 95.724 -18.700 30.402 1.00 1.03 H ATOM 854 HB3 ALA B 8 97.444 -18.778 30.052 1.00 1.07 H ATOM 855 N GLN B 9 94.098 -21.300 30.132 1.00 0.17 N ATOM 856 CA GLN B 9 92.933 -21.743 30.937 1.00 0.18 C ATOM 857 C GLN B 9 93.238 -23.107 31.557 1.00 0.18 C ATOM 858 O GLN B 9 92.950 -23.351 32.712 1.00 0.19 O ATOM 859 CB GLN B 9 91.698 -21.853 30.046 1.00 0.20 C ATOM 860 CG GLN B 9 90.467 -22.046 30.929 1.00 0.22 C ATOM 861 CD GLN B 9 89.239 -22.288 30.051 1.00 0.75 C ATOM 862 OE1 GLN B 9 89.314 -22.200 28.842 1.00 1.40 O ATOM 863 NE2 GLN B 9 88.101 -22.590 30.614 1.00 1.16 N ATOM 864 H GLN B 9 93.999 -21.124 29.171 1.00 0.18 H ATOM 865 HA GLN B 9 92.748 -21.029 31.722 1.00 0.18 H ATOM 866 HB2 GLN B 9 91.590 -20.949 29.465 1.00 0.20 H ATOM 867 HB3 GLN B 9 91.802 -22.700 29.384 1.00 0.22 H ATOM 868 HG2 GLN B 9 90.621 -22.894 31.580 1.00 0.59 H ATOM 869 HG3 GLN B 9 90.314 -21.157 31.524 1.00 0.53 H ATOM 870 HE21 GLN B 9 88.040 -22.659 31.590 1.00 1.44 H ATOM 871 HE22 GLN B 9 87.308 -22.748 30.061 1.00 1.54 H ATOM 872 N GLU B 10 93.826 -23.999 30.805 1.00 0.20 N ATOM 873 CA GLU B 10 94.149 -25.340 31.371 1.00 0.21 C ATOM 874 C GLU B 10 95.130 -25.172 32.533 1.00 0.19 C ATOM 875 O GLU B 10 95.001 -25.808 33.560 1.00 0.20 O ATOM 876 CB GLU B 10 94.774 -26.223 30.288 1.00 0.24 C ATOM 877 CG GLU B 10 94.952 -27.643 30.829 1.00 0.29 C ATOM 878 CD GLU B 10 95.340 -28.582 29.685 1.00 1.05 C ATOM 879 OE1 GLU B 10 95.236 -28.167 28.542 1.00 1.78 O ATOM 880 OE2 GLU B 10 95.732 -29.702 29.970 1.00 1.69 O ATOM 881 H GLU B 10 94.059 -23.786 29.876 1.00 0.20 H ATOM 882 HA GLU B 10 93.242 -25.804 31.736 1.00 0.23 H ATOM 883 HB2 GLU B 10 94.126 -26.244 29.423 1.00 0.26 H ATOM 884 HB3 GLU B 10 95.737 -25.823 30.008 1.00 0.24 H ATOM 885 HG2 GLU B 10 95.730 -27.648 31.578 1.00 0.79 H ATOM 886 HG3 GLU B 10 94.026 -27.979 31.269 1.00 0.72 H ATOM 887 N GLU B 11 96.100 -24.308 32.390 1.00 0.17 N ATOM 888 CA GLU B 11 97.067 -24.097 33.503 1.00 0.16 C ATOM 889 C GLU B 11 96.294 -23.588 34.716 1.00 0.15 C ATOM 890 O GLU B 11 96.548 -23.981 35.836 1.00 0.15 O ATOM 891 CB GLU B 11 98.128 -23.070 33.079 1.00 0.16 C ATOM 892 CG GLU B 11 99.137 -22.845 34.218 1.00 0.27 C ATOM 893 CD GLU B 11 99.921 -24.125 34.482 1.00 1.68 C ATOM 894 OE1 GLU B 11 99.898 -25.001 33.635 1.00 2.51 O ATOM 895 OE2 GLU B 11 100.527 -24.209 35.538 1.00 2.40 O ATOM 896 H GLU B 11 96.183 -23.793 31.560 1.00 0.18 H ATOM 897 HA GLU B 11 97.545 -25.028 33.754 1.00 0.17 H ATOM 898 HB2 GLU B 11 98.650 -23.437 32.208 1.00 0.21 H ATOM 899 HB3 GLU B 11 97.646 -22.134 32.839 1.00 0.18 H ATOM 900 HG2 GLU B 11 99.825 -22.061 33.939 1.00 0.92 H ATOM 901 HG3 GLU B 11 98.617 -22.565 35.118 1.00 0.90 H ATOM 902 N HIS B 12 95.344 -22.721 34.503 1.00 0.15 N ATOM 903 CA HIS B 12 94.555 -22.201 35.652 1.00 0.15 C ATOM 904 C HIS B 12 93.847 -23.358 36.353 1.00 0.17 C ATOM 905 O HIS B 12 93.877 -23.482 37.554 1.00 0.18 O ATOM 906 CB HIS B 12 93.497 -21.204 35.177 1.00 0.17 C ATOM 907 CG HIS B 12 92.779 -20.702 36.394 1.00 0.17 C ATOM 908 ND1 HIS B 12 92.979 -19.413 36.907 1.00 0.18 N ATOM 909 CD2 HIS B 12 91.956 -21.341 37.283 1.00 0.17 C ATOM 910 CE1 HIS B 12 92.295 -19.331 38.069 1.00 0.19 C ATOM 911 NE2 HIS B 12 91.676 -20.475 38.316 1.00 0.18 N ATOM 912 H HIS B 12 95.147 -22.419 33.592 1.00 0.16 H ATOM 913 HA HIS B 12 95.216 -21.715 36.353 1.00 0.14 H ATOM 914 HB2 HIS B 12 93.966 -20.387 34.659 1.00 0.18 H ATOM 915 HB3 HIS B 12 92.795 -21.699 34.522 1.00 0.19 H ATOM 916 HD1 HIS B 12 93.517 -18.703 36.499 1.00 0.20 H ATOM 917 HD2 HIS B 12 91.587 -22.352 37.189 1.00 0.19 H ATOM 918 HE1 HIS B 12 92.260 -18.460 38.705 1.00 0.21 H ATOM 919 N GLU B 13 93.181 -24.189 35.609 1.00 0.18 N ATOM 920 CA GLU B 13 92.440 -25.319 36.236 1.00 0.22 C ATOM 921 C GLU B 13 93.401 -26.227 37.009 1.00 0.22 C ATOM 922 O GLU B 13 93.088 -26.713 38.078 1.00 0.24 O ATOM 923 CB GLU B 13 91.750 -26.132 35.136 1.00 0.25 C ATOM 924 CG GLU B 13 90.950 -27.271 35.771 1.00 0.29 C ATOM 925 CD GLU B 13 89.980 -27.850 34.739 1.00 1.14 C ATOM 926 OE1 GLU B 13 89.973 -27.360 33.622 1.00 1.85 O ATOM 927 OE2 GLU B 13 89.260 -28.773 35.084 1.00 1.85 O ATOM 928 H GLU B 13 93.150 -24.058 34.640 1.00 0.19 H ATOM 929 HA GLU B 13 91.694 -24.929 36.911 1.00 0.23 H ATOM 930 HB2 GLU B 13 91.086 -25.489 34.578 1.00 0.26 H ATOM 931 HB3 GLU B 13 92.496 -26.545 34.470 1.00 0.24 H ATOM 932 HG2 GLU B 13 91.626 -28.044 36.105 1.00 0.86 H ATOM 933 HG3 GLU B 13 90.391 -26.892 36.614 1.00 0.81 H ATOM 934 N LYS B 14 94.554 -26.479 36.465 1.00 0.20 N ATOM 935 CA LYS B 14 95.529 -27.378 37.142 1.00 0.21 C ATOM 936 C LYS B 14 95.962 -26.833 38.513 1.00 0.21 C ATOM 937 O LYS B 14 96.150 -27.593 39.443 1.00 0.25 O ATOM 938 CB LYS B 14 96.759 -27.544 36.246 1.00 0.21 C ATOM 939 CG LYS B 14 96.382 -28.376 35.017 1.00 0.22 C ATOM 940 CD LYS B 14 97.527 -28.343 33.991 1.00 0.31 C ATOM 941 CE LYS B 14 98.745 -29.157 34.482 1.00 0.94 C ATOM 942 NZ LYS B 14 99.128 -30.138 33.427 1.00 1.59 N ATOM 943 H LYS B 14 94.775 -26.090 35.593 1.00 0.19 H ATOM 944 HA LYS B 14 95.072 -28.343 37.282 1.00 0.24 H ATOM 945 HB2 LYS B 14 97.111 -26.571 35.932 1.00 0.19 H ATOM 946 HB3 LYS B 14 97.537 -28.051 36.795 1.00 0.22 H ATOM 947 HG2 LYS B 14 96.195 -29.396 35.318 1.00 0.27 H ATOM 948 HG3 LYS B 14 95.490 -27.966 34.568 1.00 0.25 H ATOM 949 HD2 LYS B 14 97.175 -28.763 33.059 1.00 1.01 H ATOM 950 HD3 LYS B 14 97.823 -27.319 33.825 1.00 0.98 H ATOM 951 HE2 LYS B 14 99.579 -28.493 34.668 1.00 1.56 H ATOM 952 HE3 LYS B 14 98.505 -29.688 35.392 1.00 1.49 H ATOM 953 HZ1 LYS B 14 98.998 -29.708 32.490 1.00 2.06 H ATOM 954 HZ2 LYS B 14 100.125 -30.408 33.550 1.00 2.06 H ATOM 955 HZ3 LYS B 14 98.527 -30.982 33.504 1.00 2.04 H ATOM 956 N TYR B 15 96.176 -25.540 38.642 1.00 0.18 N ATOM 957 CA TYR B 15 96.660 -24.979 39.957 1.00 0.19 C ATOM 958 C TYR B 15 95.846 -23.759 40.416 1.00 0.19 C ATOM 959 O TYR B 15 96.136 -23.178 41.443 1.00 0.21 O ATOM 960 CB TYR B 15 98.117 -24.547 39.773 1.00 0.19 C ATOM 961 CG TYR B 15 98.837 -25.588 38.955 1.00 0.19 C ATOM 962 CD1 TYR B 15 99.432 -26.690 39.596 1.00 0.25 C ATOM 963 CD2 TYR B 15 98.906 -25.464 37.551 1.00 0.19 C ATOM 964 CE1 TYR B 15 100.098 -27.669 38.837 1.00 0.29 C ATOM 965 CE2 TYR B 15 99.571 -26.442 36.793 1.00 0.24 C ATOM 966 CZ TYR B 15 100.169 -27.547 37.435 1.00 0.29 C ATOM 967 OH TYR B 15 100.822 -28.508 36.692 1.00 0.36 O ATOM 968 H TYR B 15 96.057 -24.949 37.871 1.00 0.18 H ATOM 969 HA TYR B 15 96.618 -25.736 40.725 1.00 0.21 H ATOM 970 HB2 TYR B 15 98.153 -23.597 39.256 1.00 0.21 H ATOM 971 HB3 TYR B 15 98.593 -24.453 40.737 1.00 0.24 H ATOM 972 HD1 TYR B 15 99.377 -26.783 40.670 1.00 0.29 H ATOM 973 HD2 TYR B 15 98.450 -24.616 37.054 1.00 0.21 H ATOM 974 HE1 TYR B 15 100.555 -28.514 39.330 1.00 0.36 H ATOM 975 HE2 TYR B 15 99.618 -26.347 35.718 1.00 0.28 H ATOM 976 HH TYR B 15 101.761 -28.313 36.715 1.00 0.91 H ATOM 977 N HIS B 16 94.873 -23.328 39.667 1.00 0.18 N ATOM 978 CA HIS B 16 94.109 -22.111 40.077 1.00 0.18 C ATOM 979 C HIS B 16 95.122 -21.011 40.366 1.00 0.18 C ATOM 980 O HIS B 16 95.010 -20.273 41.325 1.00 0.21 O ATOM 981 CB HIS B 16 93.277 -22.368 41.341 1.00 0.22 C ATOM 982 CG HIS B 16 92.094 -23.252 41.036 1.00 0.22 C ATOM 983 ND1 HIS B 16 90.913 -22.784 40.479 1.00 0.22 N ATOM 984 CD2 HIS B 16 91.867 -24.594 41.251 1.00 0.25 C ATOM 985 CE1 HIS B 16 90.037 -23.788 40.376 1.00 0.24 C ATOM 986 NE2 HIS B 16 90.571 -24.925 40.836 1.00 0.26 N ATOM 987 H HIS B 16 94.671 -23.773 38.824 1.00 0.17 H ATOM 988 HA HIS B 16 93.468 -21.803 39.272 1.00 0.18 H ATOM 989 HB2 HIS B 16 93.895 -22.848 42.083 1.00 0.24 H ATOM 990 HB3 HIS B 16 92.924 -21.424 41.730 1.00 0.22 H ATOM 991 HD2 HIS B 16 92.581 -25.285 41.675 1.00 0.26 H ATOM 992 HE1 HIS B 16 89.033 -23.691 39.989 1.00 0.25 H ATOM 993 HE2 HIS B 16 90.144 -25.806 40.873 1.00 0.28 H ATOM 994 N SER B 17 96.131 -20.924 39.549 1.00 0.17 N ATOM 995 CA SER B 17 97.184 -19.907 39.772 1.00 0.18 C ATOM 996 C SER B 17 96.590 -18.502 39.677 1.00 0.18 C ATOM 997 O SER B 17 95.567 -18.286 39.058 1.00 0.18 O ATOM 998 CB SER B 17 98.273 -20.071 38.720 1.00 0.17 C ATOM 999 OG SER B 17 97.770 -19.667 37.455 1.00 0.20 O ATOM 1000 H SER B 17 96.206 -21.548 38.797 1.00 0.16 H ATOM 1001 HA SER B 17 97.612 -20.052 40.748 1.00 0.20 H ATOM 1002 HB2 SER B 17 99.113 -19.459 38.982 1.00 0.21 H ATOM 1003 HB3 SER B 17 98.582 -21.107 38.682 1.00 0.19 H ATOM 1004 HG SER B 17 97.844 -20.413 36.855 1.00 0.88 H ATOM 1005 N ASN B 18 97.227 -17.547 40.296 1.00 0.20 N ATOM 1006 CA ASN B 18 96.710 -16.152 40.256 1.00 0.21 C ATOM 1007 C ASN B 18 96.963 -15.555 38.869 1.00 0.18 C ATOM 1008 O ASN B 18 97.781 -16.042 38.114 1.00 0.18 O ATOM 1009 CB ASN B 18 97.415 -15.322 41.329 1.00 0.26 C ATOM 1010 CG ASN B 18 97.036 -15.870 42.708 1.00 0.31 C ATOM 1011 OD1 ASN B 18 96.060 -16.582 42.842 1.00 1.06 O ATOM 1012 ND2 ASN B 18 97.764 -15.564 43.746 1.00 1.11 N ATOM 1013 H ASN B 18 98.048 -17.749 40.791 1.00 0.22 H ATOM 1014 HA ASN B 18 95.648 -16.161 40.452 1.00 0.23 H ATOM 1015 HB2 ASN B 18 98.485 -15.388 41.193 1.00 0.26 H ATOM 1016 HB3 ASN B 18 97.102 -14.292 41.255 1.00 0.28 H ATOM 1017 HD21 ASN B 18 98.548 -14.985 43.641 1.00 1.89 H ATOM 1018 HD22 ASN B 18 97.528 -15.914 44.630 1.00 1.13 H ATOM 1019 N TRP B 19 96.248 -14.522 38.516 1.00 0.18 N ATOM 1020 CA TRP B 19 96.426 -13.917 37.164 1.00 0.17 C ATOM 1021 C TRP B 19 97.878 -13.476 36.955 1.00 0.18 C ATOM 1022 O TRP B 19 98.359 -13.431 35.840 1.00 0.17 O ATOM 1023 CB TRP B 19 95.483 -12.719 37.004 1.00 0.18 C ATOM 1024 CG TRP B 19 95.933 -11.579 37.861 1.00 0.22 C ATOM 1025 CD1 TRP B 19 95.447 -11.288 39.090 1.00 0.26 C ATOM 1026 CD2 TRP B 19 96.937 -10.567 37.566 1.00 0.24 C ATOM 1027 NE1 TRP B 19 96.091 -10.160 39.572 1.00 0.30 N ATOM 1028 CE2 TRP B 19 97.020 -9.678 38.670 1.00 0.29 C ATOM 1029 CE3 TRP B 19 97.782 -10.335 36.455 1.00 0.24 C ATOM 1030 CZ2 TRP B 19 97.909 -8.594 38.673 1.00 0.33 C ATOM 1031 CZ3 TRP B 19 98.679 -9.246 36.454 1.00 0.29 C ATOM 1032 CH2 TRP B 19 98.741 -8.377 37.561 1.00 0.33 C ATOM 1033 H TRP B 19 95.578 -14.157 39.131 1.00 0.21 H ATOM 1034 HA TRP B 19 96.181 -14.651 36.419 1.00 0.15 H ATOM 1035 HB2 TRP B 19 95.475 -12.406 35.971 1.00 0.17 H ATOM 1036 HB3 TRP B 19 94.485 -13.012 37.296 1.00 0.20 H ATOM 1037 HD1 TRP B 19 94.681 -11.844 39.611 1.00 0.27 H ATOM 1038 HE1 TRP B 19 95.923 -9.741 40.441 1.00 0.33 H ATOM 1039 HE3 TRP B 19 97.740 -10.997 35.602 1.00 0.22 H ATOM 1040 HZ2 TRP B 19 97.954 -7.929 39.524 1.00 0.37 H ATOM 1041 HZ3 TRP B 19 99.319 -9.077 35.600 1.00 0.31 H ATOM 1042 HH2 TRP B 19 99.429 -7.544 37.556 1.00 0.37 H ATOM 1043 N ARG B 20 98.586 -13.151 38.001 1.00 0.21 N ATOM 1044 CA ARG B 20 100.002 -12.718 37.818 1.00 0.23 C ATOM 1045 C ARG B 20 100.826 -13.873 37.261 1.00 0.23 C ATOM 1046 O ARG B 20 101.621 -13.708 36.357 1.00 0.25 O ATOM 1047 CB ARG B 20 100.609 -12.319 39.160 1.00 0.28 C ATOM 1048 CG ARG B 20 99.960 -11.036 39.685 1.00 0.30 C ATOM 1049 CD ARG B 20 100.824 -10.449 40.819 1.00 0.37 C ATOM 1050 NE ARG B 20 99.946 -9.852 41.860 1.00 1.44 N ATOM 1051 CZ ARG B 20 100.440 -9.572 43.033 1.00 1.80 C ATOM 1052 NH1 ARG B 20 101.708 -9.777 43.268 1.00 1.41 N ATOM 1053 NH2 ARG B 20 99.672 -9.087 43.969 1.00 2.95 N ATOM 1054 H ARG B 20 98.192 -13.193 38.897 1.00 0.22 H ATOM 1055 HA ARG B 20 100.042 -11.884 37.136 1.00 0.23 H ATOM 1056 HB2 ARG B 20 100.452 -13.115 39.872 1.00 0.28 H ATOM 1057 HB3 ARG B 20 101.670 -12.156 39.036 1.00 0.31 H ATOM 1058 HG2 ARG B 20 99.877 -10.320 38.880 1.00 0.32 H ATOM 1059 HG3 ARG B 20 98.976 -11.263 40.067 1.00 0.30 H ATOM 1060 HD2 ARG B 20 101.424 -11.228 41.272 1.00 1.03 H ATOM 1061 HD3 ARG B 20 101.476 -9.685 40.420 1.00 1.10 H ATOM 1062 HE ARG B 20 98.998 -9.687 41.670 1.00 2.16 H ATOM 1063 HH11 ARG B 20 102.296 -10.148 42.548 1.00 1.21 H ATOM 1064 HH12 ARG B 20 102.091 -9.564 44.166 1.00 1.89 H ATOM 1065 HH21 ARG B 20 98.702 -8.929 43.788 1.00 3.59 H ATOM 1066 HH22 ARG B 20 100.055 -8.875 44.868 1.00 3.26 H ATOM 1067 N ALA B 21 100.652 -15.040 37.809 1.00 0.23 N ATOM 1068 CA ALA B 21 101.437 -16.207 37.331 1.00 0.24 C ATOM 1069 C ALA B 21 101.059 -16.507 35.881 1.00 0.22 C ATOM 1070 O ALA B 21 101.908 -16.707 35.035 1.00 0.24 O ATOM 1071 CB ALA B 21 101.130 -17.422 38.224 1.00 0.26 C ATOM 1072 H ALA B 21 100.015 -15.145 38.545 1.00 0.23 H ATOM 1073 HA ALA B 21 102.489 -15.974 37.385 1.00 0.27 H ATOM 1074 HB1 ALA B 21 100.793 -17.080 39.192 1.00 1.05 H ATOM 1075 HB2 ALA B 21 100.356 -18.022 37.770 1.00 1.03 H ATOM 1076 HB3 ALA B 21 102.020 -18.021 38.346 1.00 1.07 H ATOM 1077 N MET B 22 99.790 -16.539 35.588 1.00 0.20 N ATOM 1078 CA MET B 22 99.368 -16.823 34.193 1.00 0.20 C ATOM 1079 C MET B 22 99.904 -15.732 33.272 1.00 0.21 C ATOM 1080 O MET B 22 100.369 -15.995 32.181 1.00 0.23 O ATOM 1081 CB MET B 22 97.847 -16.853 34.105 1.00 0.20 C ATOM 1082 CG MET B 22 97.319 -18.093 34.824 1.00 0.25 C ATOM 1083 SD MET B 22 95.562 -18.295 34.449 1.00 0.52 S ATOM 1084 CE MET B 22 94.951 -16.878 35.385 1.00 0.30 C ATOM 1085 H MET B 22 99.121 -16.373 36.283 1.00 0.20 H ATOM 1086 HA MET B 22 99.761 -17.776 33.890 1.00 0.21 H ATOM 1087 HB2 MET B 22 97.448 -15.966 34.570 1.00 0.18 H ATOM 1088 HB3 MET B 22 97.547 -16.885 33.068 1.00 0.23 H ATOM 1089 HG2 MET B 22 97.861 -18.966 34.494 1.00 0.30 H ATOM 1090 HG3 MET B 22 97.447 -17.970 35.890 1.00 0.30 H ATOM 1091 HE1 MET B 22 95.454 -16.834 36.337 1.00 1.09 H ATOM 1092 HE2 MET B 22 95.144 -15.971 34.830 1.00 1.10 H ATOM 1093 HE3 MET B 22 93.888 -16.988 35.547 1.00 1.07 H ATOM 1094 N ALA B 23 99.843 -14.506 33.708 1.00 0.20 N ATOM 1095 CA ALA B 23 100.350 -13.389 32.862 1.00 0.23 C ATOM 1096 C ALA B 23 101.837 -13.606 32.568 1.00 0.25 C ATOM 1097 O ALA B 23 102.294 -13.439 31.455 1.00 0.25 O ATOM 1098 CB ALA B 23 100.156 -12.062 33.602 1.00 0.25 C ATOM 1099 H ALA B 23 99.460 -14.319 34.594 1.00 0.19 H ATOM 1100 HA ALA B 23 99.802 -13.367 31.933 1.00 0.23 H ATOM 1101 HB1 ALA B 23 99.200 -12.067 34.104 1.00 1.07 H ATOM 1102 HB2 ALA B 23 100.943 -11.934 34.332 1.00 1.03 H ATOM 1103 HB3 ALA B 23 100.186 -11.247 32.894 1.00 1.03 H ATOM 1104 N SER B 24 102.593 -13.974 33.563 1.00 0.26 N ATOM 1105 CA SER B 24 104.051 -14.200 33.357 1.00 0.29 C ATOM 1106 C SER B 24 104.269 -15.487 32.544 1.00 0.28 C ATOM 1107 O SER B 24 105.160 -15.569 31.722 1.00 0.30 O ATOM 1108 CB SER B 24 104.738 -14.293 34.729 1.00 0.32 C ATOM 1109 OG SER B 24 105.813 -13.363 34.778 1.00 1.21 O ATOM 1110 H SER B 24 102.200 -14.099 34.452 1.00 0.26 H ATOM 1111 HA SER B 24 104.463 -13.365 32.811 1.00 0.30 H ATOM 1112 HB2 SER B 24 104.029 -14.047 35.498 1.00 0.87 H ATOM 1113 HB3 SER B 24 105.110 -15.296 34.897 1.00 0.91 H ATOM 1114 HG SER B 24 106.521 -13.697 34.224 1.00 1.60 H ATOM 1115 N ASP B 25 103.467 -16.492 32.773 1.00 0.27 N ATOM 1116 CA ASP B 25 103.632 -17.772 32.018 1.00 0.27 C ATOM 1117 C ASP B 25 103.469 -17.508 30.516 1.00 0.27 C ATOM 1118 O ASP B 25 104.249 -17.976 29.711 1.00 0.30 O ATOM 1119 CB ASP B 25 102.557 -18.781 32.482 1.00 0.26 C ATOM 1120 CG ASP B 25 103.083 -19.690 33.605 1.00 1.11 C ATOM 1121 OD1 ASP B 25 104.236 -19.552 33.978 1.00 1.84 O ATOM 1122 OD2 ASP B 25 102.316 -20.519 34.068 1.00 1.87 O ATOM 1123 H ASP B 25 102.757 -16.406 33.443 1.00 0.26 H ATOM 1124 HA ASP B 25 104.613 -18.173 32.199 1.00 0.30 H ATOM 1125 HB2 ASP B 25 101.710 -18.233 32.848 1.00 0.85 H ATOM 1126 HB3 ASP B 25 102.243 -19.398 31.649 1.00 0.87 H ATOM 1127 N PHE B 26 102.449 -16.781 30.137 1.00 0.24 N ATOM 1128 CA PHE B 26 102.209 -16.501 28.684 1.00 0.25 C ATOM 1129 C PHE B 26 102.577 -15.051 28.344 1.00 0.26 C ATOM 1130 O PHE B 26 102.404 -14.609 27.225 1.00 0.27 O ATOM 1131 CB PHE B 26 100.733 -16.752 28.375 1.00 0.24 C ATOM 1132 CG PHE B 26 100.415 -18.204 28.654 1.00 0.23 C ATOM 1133 CD1 PHE B 26 100.040 -18.607 29.951 1.00 0.21 C ATOM 1134 CD2 PHE B 26 100.503 -19.156 27.619 1.00 0.27 C ATOM 1135 CE1 PHE B 26 99.752 -19.962 30.211 1.00 0.23 C ATOM 1136 CE2 PHE B 26 100.214 -20.509 27.880 1.00 0.28 C ATOM 1137 CZ PHE B 26 99.839 -20.912 29.176 1.00 0.26 C ATOM 1138 H PHE B 26 101.829 -16.431 30.808 1.00 0.23 H ATOM 1139 HA PHE B 26 102.809 -17.166 28.077 1.00 0.27 H ATOM 1140 HB2 PHE B 26 100.120 -16.120 29.002 1.00 0.23 H ATOM 1141 HB3 PHE B 26 100.537 -16.534 27.337 1.00 0.26 H ATOM 1142 HD1 PHE B 26 99.972 -17.879 30.745 1.00 0.22 H ATOM 1143 HD2 PHE B 26 100.791 -18.847 26.625 1.00 0.31 H ATOM 1144 HE1 PHE B 26 99.464 -20.271 31.205 1.00 0.24 H ATOM 1145 HE2 PHE B 26 100.281 -21.239 27.087 1.00 0.33 H ATOM 1146 HZ PHE B 26 99.618 -21.950 29.376 1.00 0.28 H ATOM 1147 N ASN B 27 103.095 -14.311 29.287 1.00 0.27 N ATOM 1148 CA ASN B 27 103.485 -12.896 28.997 1.00 0.28 C ATOM 1149 C ASN B 27 102.285 -12.127 28.409 1.00 0.26 C ATOM 1150 O ASN B 27 102.416 -11.398 27.445 1.00 0.28 O ATOM 1151 CB ASN B 27 104.669 -12.883 27.994 1.00 0.31 C ATOM 1152 CG ASN B 27 106.017 -12.845 28.728 1.00 1.24 C ATOM 1153 OD1 ASN B 27 106.078 -12.610 29.919 1.00 2.05 O ATOM 1154 ND2 ASN B 27 107.112 -13.055 28.051 1.00 1.92 N ATOM 1155 H ASN B 27 103.238 -14.686 30.181 1.00 0.27 H ATOM 1156 HA ASN B 27 103.783 -12.421 29.924 1.00 0.29 H ATOM 1157 HB2 ASN B 27 104.628 -13.775 27.388 1.00 0.89 H ATOM 1158 HB3 ASN B 27 104.603 -12.018 27.349 1.00 0.88 H ATOM 1159 HD21 ASN B 27 107.066 -13.236 27.089 1.00 2.15 H ATOM 1160 HD22 ASN B 27 107.981 -13.026 28.503 1.00 2.57 H ATOM 1161 N LEU B 28 101.120 -12.272 28.986 1.00 0.25 N ATOM 1162 CA LEU B 28 99.916 -11.539 28.469 1.00 0.25 C ATOM 1163 C LEU B 28 99.528 -10.458 29.484 1.00 0.25 C ATOM 1164 O LEU B 28 99.755 -10.617 30.666 1.00 0.28 O ATOM 1165 CB LEU B 28 98.760 -12.531 28.315 1.00 0.25 C ATOM 1166 CG LEU B 28 99.100 -13.555 27.218 1.00 0.26 C ATOM 1167 CD1 LEU B 28 98.069 -14.695 27.229 1.00 0.27 C ATOM 1168 CD2 LEU B 28 99.102 -12.871 25.830 1.00 0.30 C ATOM 1169 H LEU B 28 101.034 -12.856 29.769 1.00 0.26 H ATOM 1170 HA LEU B 28 100.134 -11.085 27.514 1.00 0.25 H ATOM 1171 HB2 LEU B 28 98.605 -13.041 29.255 1.00 0.27 H ATOM 1172 HB3 LEU B 28 97.862 -12.000 28.047 1.00 0.26 H ATOM 1173 HG LEU B 28 100.080 -13.967 27.414 1.00 0.29 H ATOM 1174 HD11 LEU B 28 97.827 -14.961 28.248 1.00 1.02 H ATOM 1175 HD12 LEU B 28 97.173 -14.377 26.718 1.00 1.03 H ATOM 1176 HD13 LEU B 28 98.482 -15.555 26.724 1.00 1.02 H ATOM 1177 HD21 LEU B 28 98.357 -12.088 25.801 1.00 1.07 H ATOM 1178 HD22 LEU B 28 100.076 -12.446 25.640 1.00 1.00 H ATOM 1179 HD23 LEU B 28 98.880 -13.600 25.063 1.00 1.07 H ATOM 1180 N PRO B 29 98.952 -9.359 29.047 1.00 0.24 N ATOM 1181 CA PRO B 29 98.555 -8.267 29.978 1.00 0.26 C ATOM 1182 C PRO B 29 97.557 -8.769 31.039 1.00 0.21 C ATOM 1183 O PRO B 29 96.822 -9.709 30.807 1.00 0.26 O ATOM 1184 CB PRO B 29 97.921 -7.189 29.072 1.00 0.29 C ATOM 1185 CG PRO B 29 97.640 -7.867 27.762 1.00 0.37 C ATOM 1186 CD PRO B 29 98.626 -9.032 27.648 1.00 0.25 C ATOM 1187 HA PRO B 29 99.439 -7.871 30.451 1.00 0.31 H ATOM 1188 HB2 PRO B 29 97.000 -6.817 29.510 1.00 0.52 H ATOM 1189 HB3 PRO B 29 98.613 -6.371 28.922 1.00 0.46 H ATOM 1190 HG2 PRO B 29 96.622 -8.236 27.746 1.00 0.71 H ATOM 1191 HG3 PRO B 29 97.793 -7.179 26.942 1.00 0.55 H ATOM 1192 HD2 PRO B 29 98.162 -9.874 27.154 1.00 0.29 H ATOM 1193 HD3 PRO B 29 99.518 -8.726 27.122 1.00 0.27 H ATOM 1194 N PRO B 30 97.544 -8.158 32.198 1.00 0.21 N ATOM 1195 CA PRO B 30 96.637 -8.566 33.304 1.00 0.19 C ATOM 1196 C PRO B 30 95.204 -8.819 32.825 1.00 0.17 C ATOM 1197 O PRO B 30 94.501 -9.654 33.354 1.00 0.18 O ATOM 1198 CB PRO B 30 96.665 -7.382 34.297 1.00 0.21 C ATOM 1199 CG PRO B 30 97.780 -6.459 33.865 1.00 0.53 C ATOM 1200 CD PRO B 30 98.395 -7.018 32.571 1.00 0.31 C ATOM 1201 HA PRO B 30 97.021 -9.452 33.783 1.00 0.21 H ATOM 1202 HB2 PRO B 30 95.719 -6.851 34.273 1.00 0.36 H ATOM 1203 HB3 PRO B 30 96.851 -7.743 35.300 1.00 0.38 H ATOM 1204 HG2 PRO B 30 97.386 -5.463 33.684 1.00 0.83 H ATOM 1205 HG3 PRO B 30 98.541 -6.406 34.634 1.00 0.87 H ATOM 1206 HD2 PRO B 30 98.379 -6.270 31.788 1.00 0.31 H ATOM 1207 HD3 PRO B 30 99.407 -7.356 32.743 1.00 0.40 H ATOM 1208 N VAL B 31 94.762 -8.081 31.852 1.00 0.17 N ATOM 1209 CA VAL B 31 93.366 -8.244 31.367 1.00 0.18 C ATOM 1210 C VAL B 31 93.132 -9.674 30.917 1.00 0.15 C ATOM 1211 O VAL B 31 92.161 -10.298 31.296 1.00 0.15 O ATOM 1212 CB VAL B 31 93.139 -7.282 30.187 1.00 0.24 C ATOM 1213 CG1 VAL B 31 91.719 -7.449 29.596 1.00 0.30 C ATOM 1214 CG2 VAL B 31 93.358 -5.821 30.668 1.00 0.26 C ATOM 1215 H VAL B 31 95.342 -7.397 31.457 1.00 0.20 H ATOM 1216 HA VAL B 31 92.685 -8.005 32.162 1.00 0.19 H ATOM 1217 HB VAL B 31 93.860 -7.512 29.414 1.00 0.30 H ATOM 1218 HG11 VAL B 31 91.444 -8.491 29.545 1.00 1.03 H ATOM 1219 HG12 VAL B 31 91.009 -6.920 30.208 1.00 1.08 H ATOM 1220 HG13 VAL B 31 91.701 -7.037 28.600 1.00 1.07 H ATOM 1221 HG21 VAL B 31 93.325 -5.773 31.750 1.00 1.10 H ATOM 1222 HG22 VAL B 31 94.322 -5.471 30.332 1.00 1.01 H ATOM 1223 HG23 VAL B 31 92.591 -5.179 30.266 1.00 1.05 H ATOM 1224 N VAL B 32 93.985 -10.199 30.104 1.00 0.14 N ATOM 1225 CA VAL B 32 93.753 -11.584 29.643 1.00 0.13 C ATOM 1226 C VAL B 32 93.866 -12.534 30.834 1.00 0.12 C ATOM 1227 O VAL B 32 93.021 -13.380 31.047 1.00 0.12 O ATOM 1228 CB VAL B 32 94.782 -11.967 28.574 1.00 0.14 C ATOM 1229 CG1 VAL B 32 94.530 -13.424 28.089 1.00 0.16 C ATOM 1230 CG2 VAL B 32 94.681 -10.977 27.400 1.00 0.17 C ATOM 1231 H VAL B 32 94.760 -9.684 29.792 1.00 0.16 H ATOM 1232 HA VAL B 32 92.761 -11.653 29.226 1.00 0.13 H ATOM 1233 HB VAL B 32 95.769 -11.900 29.011 1.00 0.15 H ATOM 1234 HG11 VAL B 32 93.738 -13.871 28.666 1.00 1.03 H ATOM 1235 HG12 VAL B 32 94.245 -13.434 27.046 1.00 1.02 H ATOM 1236 HG13 VAL B 32 95.430 -14.010 28.215 1.00 1.03 H ATOM 1237 HG21 VAL B 32 93.641 -10.777 27.180 1.00 1.04 H ATOM 1238 HG22 VAL B 32 95.174 -10.056 27.667 1.00 1.04 H ATOM 1239 HG23 VAL B 32 95.160 -11.396 26.527 1.00 1.03 H ATOM 1240 N ALA B 33 94.905 -12.410 31.606 1.00 0.12 N ATOM 1241 CA ALA B 33 95.068 -13.317 32.773 1.00 0.13 C ATOM 1242 C ALA B 33 93.955 -13.070 33.794 1.00 0.12 C ATOM 1243 O ALA B 33 93.387 -13.999 34.337 1.00 0.12 O ATOM 1244 CB ALA B 33 96.429 -13.067 33.426 1.00 0.16 C ATOM 1245 H ALA B 33 95.582 -11.725 31.415 1.00 0.14 H ATOM 1246 HA ALA B 33 95.016 -14.342 32.436 1.00 0.14 H ATOM 1247 HB1 ALA B 33 97.206 -13.144 32.680 1.00 1.01 H ATOM 1248 HB2 ALA B 33 96.443 -12.079 33.861 1.00 1.04 H ATOM 1249 HB3 ALA B 33 96.598 -13.803 34.199 1.00 1.03 H ATOM 1250 N LYS B 34 93.630 -11.834 34.069 1.00 0.12 N ATOM 1251 CA LYS B 34 92.553 -11.571 35.062 1.00 0.13 C ATOM 1252 C LYS B 34 91.209 -12.074 34.536 1.00 0.12 C ATOM 1253 O LYS B 34 90.376 -12.529 35.293 1.00 0.12 O ATOM 1254 CB LYS B 34 92.478 -10.077 35.393 1.00 0.17 C ATOM 1255 CG LYS B 34 93.695 -9.706 36.265 1.00 0.23 C ATOM 1256 CD LYS B 34 93.736 -8.198 36.647 1.00 0.65 C ATOM 1257 CE LYS B 34 92.342 -7.555 36.667 1.00 1.08 C ATOM 1258 NZ LYS B 34 92.460 -6.151 37.152 1.00 1.74 N ATOM 1259 H LYS B 34 94.090 -11.086 33.625 1.00 0.14 H ATOM 1260 HA LYS B 34 92.785 -12.115 35.966 1.00 0.14 H ATOM 1261 HB2 LYS B 34 92.481 -9.499 34.481 1.00 0.18 H ATOM 1262 HB3 LYS B 34 91.569 -9.892 35.937 1.00 0.19 H ATOM 1263 HG2 LYS B 34 93.664 -10.297 37.169 1.00 0.69 H ATOM 1264 HG3 LYS B 34 94.596 -9.956 35.721 1.00 0.65 H ATOM 1265 HD2 LYS B 34 94.174 -8.097 37.630 1.00 1.42 H ATOM 1266 HD3 LYS B 34 94.355 -7.670 35.939 1.00 1.40 H ATOM 1267 HE2 LYS B 34 91.928 -7.554 35.669 1.00 1.73 H ATOM 1268 HE3 LYS B 34 91.695 -8.106 37.331 1.00 1.73 H ATOM 1269 HZ1 LYS B 34 93.386 -6.017 37.605 1.00 2.20 H ATOM 1270 HZ2 LYS B 34 92.372 -5.497 36.349 1.00 2.17 H ATOM 1271 HZ3 LYS B 34 91.704 -5.960 37.841 1.00 2.26 H ATOM 1272 N GLU B 35 90.979 -12.000 33.254 1.00 0.11 N ATOM 1273 CA GLU B 35 89.674 -12.484 32.725 1.00 0.13 C ATOM 1274 C GLU B 35 89.520 -13.969 33.058 1.00 0.12 C ATOM 1275 O GLU B 35 88.457 -14.424 33.423 1.00 0.14 O ATOM 1276 CB GLU B 35 89.620 -12.274 31.205 1.00 0.15 C ATOM 1277 CG GLU B 35 88.182 -12.453 30.682 1.00 0.21 C ATOM 1278 CD GLU B 35 87.857 -13.942 30.490 1.00 0.27 C ATOM 1279 OE1 GLU B 35 88.117 -14.453 29.414 1.00 1.12 O ATOM 1280 OE2 GLU B 35 87.337 -14.540 31.413 1.00 1.11 O ATOM 1281 H GLU B 35 91.655 -11.631 32.645 1.00 0.12 H ATOM 1282 HA GLU B 35 88.877 -11.929 33.197 1.00 0.14 H ATOM 1283 HB2 GLU B 35 89.960 -11.275 30.973 1.00 0.15 H ATOM 1284 HB3 GLU B 35 90.268 -12.990 30.722 1.00 0.16 H ATOM 1285 HG2 GLU B 35 87.482 -12.024 31.384 1.00 0.25 H ATOM 1286 HG3 GLU B 35 88.087 -11.945 29.737 1.00 0.23 H ATOM 1287 N ILE B 36 90.569 -14.736 32.949 1.00 0.12 N ATOM 1288 CA ILE B 36 90.442 -16.185 33.271 1.00 0.13 C ATOM 1289 C ILE B 36 90.000 -16.346 34.721 1.00 0.13 C ATOM 1290 O ILE B 36 89.180 -17.183 35.040 1.00 0.15 O ATOM 1291 CB ILE B 36 91.784 -16.888 33.073 1.00 0.14 C ATOM 1292 CG1 ILE B 36 92.202 -16.727 31.600 1.00 0.16 C ATOM 1293 CG2 ILE B 36 91.653 -18.393 33.446 1.00 0.18 C ATOM 1294 CD1 ILE B 36 93.593 -17.362 31.351 1.00 0.18 C ATOM 1295 H ILE B 36 91.432 -14.364 32.663 1.00 0.12 H ATOM 1296 HA ILE B 36 89.705 -16.630 32.622 1.00 0.15 H ATOM 1297 HB ILE B 36 92.525 -16.420 33.708 1.00 0.15 H ATOM 1298 HG12 ILE B 36 91.464 -17.208 30.972 1.00 0.20 H ATOM 1299 HG13 ILE B 36 92.237 -15.673 31.359 1.00 0.21 H ATOM 1300 HG21 ILE B 36 90.611 -18.657 33.578 1.00 1.02 H ATOM 1301 HG22 ILE B 36 92.074 -19.011 32.666 1.00 1.03 H ATOM 1302 HG23 ILE B 36 92.182 -18.585 34.369 1.00 1.05 H ATOM 1303 HD11 ILE B 36 93.992 -17.772 32.271 1.00 0.96 H ATOM 1304 HD12 ILE B 36 93.500 -18.154 30.621 1.00 1.00 H ATOM 1305 HD13 ILE B 36 94.276 -16.611 30.977 1.00 1.01 H ATOM 1306 N VAL B 37 90.525 -15.546 35.603 1.00 0.12 N ATOM 1307 CA VAL B 37 90.114 -15.660 37.028 1.00 0.14 C ATOM 1308 C VAL B 37 88.620 -15.368 37.115 1.00 0.16 C ATOM 1309 O VAL B 37 87.886 -16.006 37.843 1.00 0.18 O ATOM 1310 CB VAL B 37 90.884 -14.637 37.877 1.00 0.16 C ATOM 1311 CG1 VAL B 37 90.339 -14.629 39.335 1.00 0.22 C ATOM 1312 CG2 VAL B 37 92.378 -14.999 37.851 1.00 0.18 C ATOM 1313 H VAL B 37 91.181 -14.870 35.328 1.00 0.12 H ATOM 1314 HA VAL B 37 90.313 -16.658 37.387 1.00 0.15 H ATOM 1315 HB VAL B 37 90.751 -13.654 37.441 1.00 0.17 H ATOM 1316 HG11 VAL B 37 89.698 -15.486 39.498 1.00 1.04 H ATOM 1317 HG12 VAL B 37 91.155 -14.665 40.042 1.00 1.03 H ATOM 1318 HG13 VAL B 37 89.768 -13.725 39.503 1.00 1.02 H ATOM 1319 HG21 VAL B 37 92.499 -16.045 38.092 1.00 1.04 H ATOM 1320 HG22 VAL B 37 92.774 -14.809 36.865 1.00 0.95 H ATOM 1321 HG23 VAL B 37 92.911 -14.397 38.572 1.00 1.02 H ATOM 1322 N ALA B 38 88.170 -14.403 36.366 1.00 0.16 N ATOM 1323 CA ALA B 38 86.727 -14.045 36.379 1.00 0.20 C ATOM 1324 C ALA B 38 85.887 -15.226 35.880 1.00 0.21 C ATOM 1325 O ALA B 38 84.742 -15.381 36.251 1.00 0.27 O ATOM 1326 CB ALA B 38 86.512 -12.828 35.482 1.00 0.21 C ATOM 1327 H ALA B 38 88.788 -13.909 35.788 1.00 0.15 H ATOM 1328 HA ALA B 38 86.431 -13.800 37.388 1.00 0.23 H ATOM 1329 HB1 ALA B 38 87.093 -12.937 34.580 1.00 1.04 H ATOM 1330 HB2 ALA B 38 85.466 -12.741 35.229 1.00 1.07 H ATOM 1331 HB3 ALA B 38 86.833 -11.945 36.008 1.00 1.00 H ATOM 1332 N SER B 39 86.435 -16.071 35.050 1.00 0.19 N ATOM 1333 CA SER B 39 85.638 -17.235 34.562 1.00 0.24 C ATOM 1334 C SER B 39 85.678 -18.329 35.626 1.00 0.23 C ATOM 1335 O SER B 39 84.810 -19.176 35.698 1.00 0.27 O ATOM 1336 CB SER B 39 86.238 -17.768 33.261 1.00 0.26 C ATOM 1337 OG SER B 39 86.079 -16.795 32.237 1.00 0.29 O ATOM 1338 H SER B 39 87.362 -15.948 34.757 1.00 0.17 H ATOM 1339 HA SER B 39 84.614 -16.931 34.393 1.00 0.29 H ATOM 1340 HB2 SER B 39 87.286 -17.969 33.401 1.00 0.25 H ATOM 1341 HB3 SER B 39 85.732 -18.684 32.983 1.00 0.31 H ATOM 1342 HG SER B 39 86.745 -16.117 32.366 1.00 0.89 H ATOM 1343 N CYS B 40 86.678 -18.306 36.466 1.00 0.21 N ATOM 1344 CA CYS B 40 86.777 -19.331 37.542 1.00 0.21 C ATOM 1345 C CYS B 40 85.939 -18.884 38.740 1.00 0.23 C ATOM 1346 O CYS B 40 86.332 -18.024 39.502 1.00 0.23 O ATOM 1347 CB CYS B 40 88.234 -19.486 37.970 1.00 0.20 C ATOM 1348 SG CYS B 40 88.335 -20.688 39.318 1.00 0.22 S ATOM 1349 H CYS B 40 87.360 -17.607 36.393 1.00 0.19 H ATOM 1350 HA CYS B 40 86.407 -20.279 37.177 1.00 0.23 H ATOM 1351 HB2 CYS B 40 88.822 -19.833 37.133 1.00 0.21 H ATOM 1352 HB3 CYS B 40 88.614 -18.533 38.307 1.00 0.20 H ATOM 1353 N ASP B 41 84.784 -19.462 38.907 1.00 0.26 N ATOM 1354 CA ASP B 41 83.907 -19.079 40.048 1.00 0.30 C ATOM 1355 C ASP B 41 84.623 -19.348 41.373 1.00 0.30 C ATOM 1356 O ASP B 41 84.383 -18.683 42.362 1.00 0.32 O ATOM 1357 CB ASP B 41 82.619 -19.901 39.994 1.00 0.35 C ATOM 1358 CG ASP B 41 81.787 -19.468 38.786 1.00 0.38 C ATOM 1359 OD1 ASP B 41 82.019 -18.377 38.292 1.00 1.10 O ATOM 1360 OD2 ASP B 41 80.932 -20.236 38.375 1.00 1.17 O ATOM 1361 H ASP B 41 84.490 -20.151 38.276 1.00 0.28 H ATOM 1362 HA ASP B 41 83.665 -18.030 39.977 1.00 0.31 H ATOM 1363 HB2 ASP B 41 82.865 -20.949 39.907 1.00 0.36 H ATOM 1364 HB3 ASP B 41 82.050 -19.738 40.897 1.00 0.38 H ATOM 1365 N LYS B 42 85.481 -20.329 41.411 1.00 0.28 N ATOM 1366 CA LYS B 42 86.188 -20.648 42.684 1.00 0.31 C ATOM 1367 C LYS B 42 87.170 -19.535 43.051 1.00 0.31 C ATOM 1368 O LYS B 42 87.283 -19.152 44.199 1.00 0.49 O ATOM 1369 CB LYS B 42 86.975 -21.950 42.516 1.00 0.32 C ATOM 1370 CG LYS B 42 86.019 -23.143 42.420 1.00 0.35 C ATOM 1371 CD LYS B 42 86.840 -24.445 42.255 1.00 0.39 C ATOM 1372 CE LYS B 42 86.069 -25.671 42.788 1.00 0.96 C ATOM 1373 NZ LYS B 42 85.262 -26.275 41.692 1.00 1.74 N ATOM 1374 H LYS B 42 85.650 -20.865 40.608 1.00 0.28 H ATOM 1375 HA LYS B 42 85.464 -20.770 43.477 1.00 0.34 H ATOM 1376 HB2 LYS B 42 87.568 -21.894 41.611 1.00 0.30 H ATOM 1377 HB3 LYS B 42 87.629 -22.084 43.363 1.00 0.36 H ATOM 1378 HG2 LYS B 42 85.422 -23.185 43.318 1.00 0.39 H ATOM 1379 HG3 LYS B 42 85.372 -23.016 41.565 1.00 0.36 H ATOM 1380 HD2 LYS B 42 87.053 -24.596 41.206 1.00 0.76 H ATOM 1381 HD3 LYS B 42 87.776 -24.354 42.793 1.00 0.82 H ATOM 1382 HE2 LYS B 42 86.774 -26.406 43.150 1.00 1.63 H ATOM 1383 HE3 LYS B 42 85.417 -25.384 43.598 1.00 1.55 H ATOM 1384 HZ1 LYS B 42 85.814 -26.266 40.810 1.00 2.28 H ATOM 1385 HZ2 LYS B 42 85.021 -27.256 41.941 1.00 2.25 H ATOM 1386 HZ3 LYS B 42 84.387 -25.729 41.562 1.00 2.18 H ATOM 1387 N CYS B 43 87.888 -19.016 42.094 1.00 0.28 N ATOM 1388 CA CYS B 43 88.869 -17.935 42.402 1.00 0.27 C ATOM 1389 C CYS B 43 88.169 -16.573 42.391 1.00 0.30 C ATOM 1390 O CYS B 43 88.634 -15.627 42.995 1.00 0.40 O ATOM 1391 CB CYS B 43 89.987 -17.950 41.360 1.00 0.25 C ATOM 1392 SG CYS B 43 91.017 -19.422 41.602 1.00 0.24 S ATOM 1393 H CYS B 43 87.789 -19.342 41.175 1.00 0.38 H ATOM 1394 HA CYS B 43 89.296 -18.105 43.380 1.00 0.30 H ATOM 1395 HB2 CYS B 43 89.554 -17.970 40.371 1.00 0.24 H ATOM 1396 HB3 CYS B 43 90.593 -17.063 41.470 1.00 0.26 H ATOM 1397 N GLN B 44 87.055 -16.458 41.713 1.00 0.33 N ATOM 1398 CA GLN B 44 86.349 -15.143 41.683 1.00 0.39 C ATOM 1399 C GLN B 44 85.583 -14.963 42.991 1.00 0.40 C ATOM 1400 O GLN B 44 85.969 -14.181 43.837 1.00 0.55 O ATOM 1401 CB GLN B 44 85.371 -15.098 40.510 1.00 0.50 C ATOM 1402 CG GLN B 44 84.810 -13.680 40.376 1.00 0.59 C ATOM 1403 CD GLN B 44 83.707 -13.664 39.320 1.00 0.75 C ATOM 1404 OE1 GLN B 44 82.658 -13.089 39.528 1.00 1.03 O ATOM 1405 NE2 GLN B 44 83.901 -14.276 38.187 1.00 1.14 N ATOM 1406 H GLN B 44 86.691 -17.228 41.229 1.00 0.37 H ATOM 1407 HA GLN B 44 87.071 -14.349 41.582 1.00 0.45 H ATOM 1408 HB2 GLN B 44 85.889 -15.370 39.601 1.00 0.56 H ATOM 1409 HB3 GLN B 44 84.562 -15.790 40.686 1.00 0.52 H ATOM 1410 HG2 GLN B 44 84.404 -13.360 41.324 1.00 0.55 H ATOM 1411 HG3 GLN B 44 85.600 -13.007 40.078 1.00 0.65 H ATOM 1412 HE21 GLN B 44 84.748 -14.740 38.020 1.00 1.53 H ATOM 1413 HE22 GLN B 44 83.201 -14.273 37.502 1.00 1.25 H ATOM 1414 N LEU B 45 84.523 -15.701 43.197 1.00 0.41 N ATOM 1415 CA LEU B 45 83.799 -15.563 44.492 1.00 0.52 C ATOM 1416 C LEU B 45 84.612 -16.356 45.505 1.00 0.66 C ATOM 1417 O LEU B 45 84.653 -17.570 45.496 1.00 1.00 O ATOM 1418 CB LEU B 45 82.362 -16.105 44.376 1.00 0.62 C ATOM 1419 CG LEU B 45 81.692 -15.619 43.071 1.00 0.63 C ATOM 1420 CD1 LEU B 45 80.360 -16.357 42.883 1.00 0.84 C ATOM 1421 CD2 LEU B 45 81.424 -14.095 43.113 1.00 0.64 C ATOM 1422 H LEU B 45 84.232 -16.352 42.526 1.00 0.45 H ATOM 1423 HA LEU B 45 83.788 -14.529 44.799 1.00 0.56 H ATOM 1424 HB2 LEU B 45 82.390 -17.186 44.378 1.00 0.69 H ATOM 1425 HB3 LEU B 45 81.784 -15.764 45.222 1.00 0.73 H ATOM 1426 HG LEU B 45 82.338 -15.847 42.235 1.00 0.57 H ATOM 1427 HD11 LEU B 45 80.524 -17.422 42.953 1.00 1.35 H ATOM 1428 HD12 LEU B 45 79.662 -16.051 43.650 1.00 1.36 H ATOM 1429 HD13 LEU B 45 79.951 -16.120 41.911 1.00 1.33 H ATOM 1430 HD21 LEU B 45 82.216 -13.593 43.633 1.00 1.14 H ATOM 1431 HD22 LEU B 45 81.370 -13.717 42.102 1.00 1.23 H ATOM 1432 HD23 LEU B 45 80.490 -13.895 43.617 1.00 1.21 H ATOM 1433 N LYS B 46 85.324 -15.642 46.329 1.00 0.84 N ATOM 1434 CA LYS B 46 86.242 -16.267 47.321 1.00 0.99 C ATOM 1435 C LYS B 46 85.688 -16.142 48.750 1.00 1.48 C ATOM 1436 O LYS B 46 86.360 -16.453 49.712 1.00 2.22 O ATOM 1437 CB LYS B 46 87.563 -15.505 47.198 1.00 1.26 C ATOM 1438 CG LYS B 46 88.719 -16.273 47.837 1.00 1.70 C ATOM 1439 CD LYS B 46 89.955 -15.367 47.862 1.00 2.05 C ATOM 1440 CE LYS B 46 91.064 -16.001 48.713 1.00 2.77 C ATOM 1441 NZ LYS B 46 92.387 -15.584 48.173 1.00 3.30 N ATOM 1442 H LYS B 46 85.297 -14.668 46.255 1.00 1.11 H ATOM 1443 HA LYS B 46 86.402 -17.305 47.081 1.00 0.90 H ATOM 1444 HB2 LYS B 46 87.780 -15.351 46.149 1.00 1.60 H ATOM 1445 HB3 LYS B 46 87.460 -14.546 47.679 1.00 1.85 H ATOM 1446 HG2 LYS B 46 88.461 -16.563 48.840 1.00 2.26 H ATOM 1447 HG3 LYS B 46 88.936 -17.154 47.249 1.00 2.10 H ATOM 1448 HD2 LYS B 46 90.316 -15.228 46.854 1.00 2.29 H ATOM 1449 HD3 LYS B 46 89.688 -14.406 48.280 1.00 2.36 H ATOM 1450 HE2 LYS B 46 90.972 -15.665 49.738 1.00 3.22 H ATOM 1451 HE3 LYS B 46 90.987 -17.078 48.680 1.00 3.17 H ATOM 1452 HZ1 LYS B 46 92.245 -14.908 47.394 1.00 3.64 H ATOM 1453 HZ2 LYS B 46 92.944 -15.134 48.926 1.00 3.56 H ATOM 1454 HZ3 LYS B 46 92.895 -16.419 47.820 1.00 3.66 H ATOM 1455 N GLY B 47 84.477 -15.689 48.912 1.00 1.77 N ATOM 1456 CA GLY B 47 83.919 -15.552 50.294 1.00 2.32 C ATOM 1457 C GLY B 47 82.922 -14.395 50.330 1.00 1.97 C ATOM 1458 O GLY B 47 81.771 -14.566 50.678 1.00 2.24 O ATOM 1459 H GLY B 47 83.937 -15.437 48.135 1.00 2.08 H ATOM 1460 HA2 GLY B 47 83.420 -16.469 50.572 1.00 2.90 H ATOM 1461 HA3 GLY B 47 84.719 -15.352 50.994 1.00 2.86 H TER 1462 GLY B 47 HETATM 1463 ZN ZN A 56 79.039 -2.008 35.762 1.00 0.20 ZN HETATM 1464 ZN ZN B 56 90.544 -20.893 39.901 1.00 0.21 ZN CONECT 180 1463 CONECT 252 1463 CONECT 617 1463 CONECT 661 1463 CONECT 911 1464 CONECT 983 1464 CONECT 1348 1464 CONECT 1392 1464 CONECT 1463 180 252 617 661 CONECT 1464 911 983 1348 1392 MASTER 129 0 2 8 0 0 2 6 1462 2 10 8 END