HEADER PROTEINASE INHIBITOR (CYSTEINE) 24-AUG-95 1CYV TITLE SOLUTION NMR STRUCTURE OF RECOMBINANT HUMAN CYSTATIN A TITLE 2 UNDER THE CONDITION OF PH 3.8 AND 310K COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYSTATIN A; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: STEFIN A; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PROTEINASE INHIBITOR (CYSTEINE) EXPDTA SOLUTION NMR AUTHOR S.TATE,N.U.TATE,T.USHIODA,T.SAMEJIMA,M.KAINOSHO REVDAT 2 24-FEB-09 1CYV 1 VERSN REVDAT 1 07-DEC-95 1CYV 0 JRNL AUTH S.TATE,T.USHIODA,N.UTSUNOMIYA-TATE,K.SHIBUYA, JRNL AUTH 2 Y.OHYAMA,Y.NAKANO,H.KAJI,F.INAGAKI,T.SAMEJIMA, JRNL AUTH 3 M.KAINOSHO JRNL TITL SOLUTION STRUCTURE OF A HUMAN CYSTATIN A VARIANT, JRNL TITL 2 CYSTATIN A2-98 M65L, BY NMR SPECTROSCOPY. A JRNL TITL 3 POSSIBLE ROLE OF THE INTERACTIONS BETWEEN THE N- JRNL TITL 4 AND C-TERMINI TO MAINTAIN THE INHIBITORY ACTIVE JRNL TITL 5 FORM OF CYSTATIN A. JRNL REF BIOCHEMISTRY V. 34 14637 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7578072 JRNL DOI 10.1021/BI00045A004 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: NULL REMARK 4 REMARK 4 1CYV 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) : NULL REMARK 210 PH : NULL 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: 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 PRO A 3 -169.17 -77.53 REMARK 500 LEU A 6 -165.43 -55.90 REMARK 500 SER A 7 -88.57 61.29 REMARK 500 ALA A 9 149.58 -172.29 REMARK 500 ALA A 12 100.17 32.66 REMARK 500 LYS A 22 -73.41 -108.17 REMARK 500 GLU A 29 20.52 -144.30 REMARK 500 LYS A 30 -65.75 -92.93 REMARK 500 ASN A 32 42.00 35.42 REMARK 500 THR A 34 38.78 -90.51 REMARK 500 TYR A 35 -152.57 -140.51 REMARK 500 LEU A 38 60.89 -114.95 REMARK 500 GLU A 39 -151.20 179.05 REMARK 500 GLN A 42 166.56 168.84 REMARK 500 VAL A 47 -158.54 -63.25 REMARK 500 VAL A 48 -50.84 164.85 REMARK 500 ALA A 49 47.55 159.50 REMARK 500 THR A 51 93.83 108.96 REMARK 500 LEU A 73 60.52 -179.16 REMARK 500 PRO A 74 49.64 -81.02 REMARK 500 ASN A 77 93.23 56.73 REMARK 500 ASP A 79 -166.66 45.73 REMARK 500 LEU A 80 -147.07 -100.34 REMARK 500 VAL A 81 160.57 179.20 REMARK 500 THR A 83 -8.86 -55.15 REMARK 500 TYR A 85 121.91 165.71 REMARK 500 VAL A 87 -144.95 -90.01 REMARK 500 ASP A 88 -144.34 -130.19 REMARK 500 LYS A 89 55.54 81.88 REMARK 500 ASN A 90 37.58 39.90 REMARK 500 LYS A 91 -61.24 -105.45 REMARK 500 GLU A 94 135.39 -179.10 REMARK 500 LEU A 95 163.86 -48.27 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 58 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CYU RELATED DB: PDB DBREF 1CYV A 1 98 UNP P01040 CYTA_HUMAN 1 98 SEQADV 1CYV LEU A 65 UNP P01040 MET 65 ENGINEERED SEQRES 1 A 98 MET ILE PRO GLY GLY LEU SER GLU ALA LYS PRO ALA THR SEQRES 2 A 98 PRO GLU ILE GLN GLU ILE VAL ASP LYS VAL LYS PRO GLN SEQRES 3 A 98 LEU GLU GLU LYS THR ASN GLU THR TYR GLY LYS LEU GLU SEQRES 4 A 98 ALA VAL GLN TYR LYS THR GLN VAL VAL ALA GLY THR ASN SEQRES 5 A 98 TYR TYR ILE LYS VAL ARG ALA GLY ASP ASN LYS TYR LEU SEQRES 6 A 98 HIS LEU LYS VAL PHE LYS SER LEU PRO GLY GLN ASN GLU SEQRES 7 A 98 ASP LEU VAL LEU THR GLY TYR GLN VAL ASP LYS ASN LYS SEQRES 8 A 98 ASP ASP GLU LEU THR GLY PHE HELIX 1 H1 GLU A 15 LYS A 22 1 8 HELIX 2 H2 GLN A 26 LYS A 30 1 5 SHEET 1 B1 5 GLU A 8 PRO A 11 0 SHEET 2 B1 5 GLN A 42 VAL A 47 -1 N TYR A 43 O LYS A 10 SHEET 3 B1 5 GLY A 50 ALA A 59 -1 O ASN A 52 N GLN A 46 SHEET 4 B1 5 LYS A 63 SER A 72 -1 N LEU A 65 O VAL A 57 SHEET 5 B1 5 LEU A 80 LEU A 82 -1 SHEET 1 B2 5 GLU A 8 PRO A 11 0 SHEET 2 B2 5 LEU A 38 ALA A 40 -1 SHEET 3 B2 5 GLY A 50 ALA A 59 -1 O ARG A 58 N GLU A 39 SHEET 4 B2 5 LYS A 63 SER A 72 -1 N LEU A 65 O VAL A 57 SHEET 5 B2 5 GLY A 84 VAL A 87 -1 O GLY A 84 N LYS A 68 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 MET A 1 -9.183 10.074 -19.465 1.00 8.38 N ATOM 2 CA MET A 1 -9.551 8.631 -19.526 1.00 7.99 C ATOM 3 C MET A 1 -8.955 7.904 -18.319 1.00 7.22 C ATOM 4 O MET A 1 -8.848 6.694 -18.303 1.00 7.51 O ATOM 5 CB MET A 1 -8.996 8.016 -20.812 1.00 8.54 C ATOM 6 CG MET A 1 -9.721 6.700 -21.103 1.00 9.00 C ATOM 7 SD MET A 1 -8.549 5.327 -20.982 1.00 9.81 S ATOM 8 CE MET A 1 -9.520 4.114 -21.909 1.00 10.09 C ATOM 9 H1 MET A 1 -8.189 10.167 -19.174 1.00 8.47 H ATOM 10 H2 MET A 1 -9.308 10.503 -20.403 1.00 8.55 H ATOM 11 H3 MET A 1 -9.794 10.558 -18.776 1.00 8.63 H ATOM 12 HA MET A 1 -10.626 8.531 -19.512 1.00 8.07 H ATOM 13 HB2 MET A 1 -9.148 8.700 -21.633 1.00 8.97 H ATOM 14 HB3 MET A 1 -7.940 7.823 -20.693 1.00 8.41 H ATOM 15 HG2 MET A 1 -10.516 6.560 -20.384 1.00 9.09 H ATOM 16 HG3 MET A 1 -10.138 6.730 -22.098 1.00 9.02 H ATOM 17 HE1 MET A 1 -9.743 4.508 -22.890 1.00 10.06 H ATOM 18 HE2 MET A 1 -8.956 3.200 -22.010 1.00 10.32 H ATOM 19 HE3 MET A 1 -10.440 3.910 -21.378 1.00 10.29 H ATOM 20 N ILE A 2 -8.565 8.633 -17.310 1.00 6.41 N ATOM 21 CA ILE A 2 -7.974 7.980 -16.110 1.00 5.76 C ATOM 22 C ILE A 2 -8.343 8.778 -14.855 1.00 4.71 C ATOM 23 O ILE A 2 -7.495 9.393 -14.240 1.00 4.54 O ATOM 24 CB ILE A 2 -6.453 7.929 -16.258 1.00 6.23 C ATOM 25 CG1 ILE A 2 -5.857 7.134 -15.094 1.00 5.84 C ATOM 26 CG2 ILE A 2 -5.887 9.351 -16.248 1.00 6.35 C ATOM 27 CD1 ILE A 2 -4.331 7.172 -15.181 1.00 6.36 C ATOM 28 H ILE A 2 -8.657 9.608 -17.343 1.00 6.36 H ATOM 29 HA ILE A 2 -8.360 6.975 -16.022 1.00 5.95 H ATOM 30 HB ILE A 2 -6.199 7.449 -17.191 1.00 6.98 H ATOM 31 HG12 ILE A 2 -6.177 7.572 -14.159 1.00 5.72 H ATOM 32 HG13 ILE A 2 -6.194 6.111 -15.147 1.00 5.63 H ATOM 33 HG21 ILE A 2 -6.688 10.056 -16.085 1.00 6.60 H ATOM 34 HG22 ILE A 2 -5.159 9.443 -15.456 1.00 6.40 H ATOM 35 HG23 ILE A 2 -5.414 9.556 -17.198 1.00 6.48 H ATOM 36 HD11 ILE A 2 -4.034 7.495 -16.168 1.00 6.54 H ATOM 37 HD12 ILE A 2 -3.945 7.862 -14.445 1.00 6.62 H ATOM 38 HD13 ILE A 2 -3.936 6.185 -14.992 1.00 6.60 H ATOM 39 N PRO A 3 -9.607 8.738 -14.514 1.00 4.27 N ATOM 40 CA PRO A 3 -10.136 9.446 -13.334 1.00 3.39 C ATOM 41 C PRO A 3 -9.795 8.679 -12.052 1.00 2.70 C ATOM 42 O PRO A 3 -9.014 7.749 -12.062 1.00 2.66 O ATOM 43 CB PRO A 3 -11.648 9.462 -13.574 1.00 3.61 C ATOM 44 CG PRO A 3 -11.948 8.302 -14.553 1.00 4.49 C ATOM 45 CD PRO A 3 -10.624 7.983 -15.274 1.00 4.90 C ATOM 46 HA PRO A 3 -9.758 10.454 -13.290 1.00 3.41 H ATOM 47 HB2 PRO A 3 -12.173 9.309 -12.640 1.00 3.26 H ATOM 48 HB3 PRO A 3 -11.943 10.399 -14.019 1.00 3.81 H ATOM 49 HG2 PRO A 3 -12.292 7.435 -14.004 1.00 4.53 H ATOM 50 HG3 PRO A 3 -12.691 8.606 -15.273 1.00 5.00 H ATOM 51 HD2 PRO A 3 -10.420 6.922 -15.236 1.00 5.19 H ATOM 52 HD3 PRO A 3 -10.658 8.328 -16.296 1.00 5.51 H ATOM 53 N GLY A 4 -10.379 9.064 -10.949 1.00 2.35 N ATOM 54 CA GLY A 4 -10.091 8.359 -9.668 1.00 1.79 C ATOM 55 C GLY A 4 -11.083 7.212 -9.488 1.00 1.29 C ATOM 56 O GLY A 4 -11.819 7.160 -8.521 1.00 1.38 O ATOM 57 H GLY A 4 -11.008 9.815 -10.963 1.00 2.61 H ATOM 58 HA2 GLY A 4 -9.083 7.967 -9.690 1.00 1.83 H ATOM 59 HA3 GLY A 4 -10.192 9.050 -8.846 1.00 1.92 H ATOM 60 N GLY A 5 -11.116 6.290 -10.413 1.00 1.01 N ATOM 61 CA GLY A 5 -12.067 5.151 -10.292 1.00 0.75 C ATOM 62 C GLY A 5 -13.439 5.682 -9.879 1.00 0.71 C ATOM 63 O GLY A 5 -13.986 5.294 -8.870 1.00 0.92 O ATOM 64 H GLY A 5 -10.517 6.350 -11.187 1.00 1.21 H ATOM 65 HA2 GLY A 5 -12.147 4.643 -11.242 1.00 0.88 H ATOM 66 HA3 GLY A 5 -11.714 4.460 -9.542 1.00 0.84 H ATOM 67 N LEU A 6 -14.000 6.573 -10.649 1.00 0.69 N ATOM 68 CA LEU A 6 -15.330 7.124 -10.295 1.00 0.69 C ATOM 69 C LEU A 6 -16.329 5.979 -10.136 1.00 0.59 C ATOM 70 O LEU A 6 -15.955 4.828 -10.033 1.00 0.68 O ATOM 71 CB LEU A 6 -15.793 8.060 -11.409 1.00 0.75 C ATOM 72 CG LEU A 6 -15.922 7.272 -12.713 1.00 1.40 C ATOM 73 CD1 LEU A 6 -17.234 7.642 -13.406 1.00 2.46 C ATOM 74 CD2 LEU A 6 -14.745 7.612 -13.631 1.00 1.57 C ATOM 75 H LEU A 6 -13.547 6.878 -11.460 1.00 0.84 H ATOM 76 HA LEU A 6 -15.259 7.672 -9.367 1.00 0.79 H ATOM 77 HB2 LEU A 6 -16.747 8.484 -11.147 1.00 1.53 H ATOM 78 HB3 LEU A 6 -15.071 8.850 -11.538 1.00 1.09 H ATOM 79 HG LEU A 6 -15.917 6.213 -12.495 1.00 1.95 H ATOM 80 HD11 LEU A 6 -18.058 7.486 -12.725 1.00 3.02 H ATOM 81 HD12 LEU A 6 -17.206 8.680 -13.704 1.00 2.98 H ATOM 82 HD13 LEU A 6 -17.367 7.020 -14.280 1.00 2.80 H ATOM 83 HD21 LEU A 6 -14.167 8.412 -13.194 1.00 1.88 H ATOM 84 HD22 LEU A 6 -14.121 6.740 -13.752 1.00 1.91 H ATOM 85 HD23 LEU A 6 -15.120 7.924 -14.595 1.00 2.10 H ATOM 86 N SER A 7 -17.597 6.281 -10.113 1.00 0.56 N ATOM 87 CA SER A 7 -18.614 5.205 -9.956 1.00 0.55 C ATOM 88 C SER A 7 -18.394 4.502 -8.615 1.00 0.52 C ATOM 89 O SER A 7 -18.965 4.874 -7.609 1.00 0.61 O ATOM 90 CB SER A 7 -18.469 4.195 -11.094 1.00 0.57 C ATOM 91 OG SER A 7 -18.796 4.827 -12.326 1.00 0.61 O ATOM 92 H SER A 7 -17.880 7.217 -10.195 1.00 0.65 H ATOM 93 HA SER A 7 -19.603 5.638 -9.978 1.00 0.63 H ATOM 94 HB2 SER A 7 -17.454 3.841 -11.137 1.00 0.68 H ATOM 95 HB3 SER A 7 -19.134 3.359 -10.919 1.00 0.63 H ATOM 96 HG SER A 7 -18.007 5.265 -12.653 1.00 1.18 H ATOM 97 N GLU A 8 -17.569 3.490 -8.589 1.00 0.47 N ATOM 98 CA GLU A 8 -17.317 2.776 -7.313 1.00 0.49 C ATOM 99 C GLU A 8 -16.052 3.324 -6.662 1.00 0.44 C ATOM 100 O GLU A 8 -14.968 2.832 -6.890 1.00 0.45 O ATOM 101 CB GLU A 8 -17.150 1.272 -7.567 1.00 0.58 C ATOM 102 CG GLU A 8 -18.187 0.796 -8.591 1.00 0.90 C ATOM 103 CD GLU A 8 -19.271 -0.019 -7.884 1.00 1.26 C ATOM 104 OE1 GLU A 8 -20.014 0.562 -7.111 1.00 1.93 O ATOM 105 OE2 GLU A 8 -19.341 -1.213 -8.129 1.00 1.93 O ATOM 106 H GLU A 8 -17.119 3.203 -9.402 1.00 0.49 H ATOM 107 HA GLU A 8 -18.144 2.938 -6.658 1.00 0.51 H ATOM 108 HB2 GLU A 8 -16.156 1.080 -7.945 1.00 0.57 H ATOM 109 HB3 GLU A 8 -17.291 0.734 -6.641 1.00 0.66 H ATOM 110 HG2 GLU A 8 -18.636 1.651 -9.074 1.00 1.56 H ATOM 111 HG3 GLU A 8 -17.701 0.179 -9.333 1.00 1.39 H ATOM 112 N ALA A 9 -16.179 4.341 -5.849 1.00 0.41 N ATOM 113 CA ALA A 9 -14.978 4.912 -5.185 1.00 0.39 C ATOM 114 C ALA A 9 -15.394 5.955 -4.147 1.00 0.41 C ATOM 115 O ALA A 9 -16.396 6.628 -4.289 1.00 0.46 O ATOM 116 CB ALA A 9 -14.095 5.576 -6.237 1.00 0.39 C ATOM 117 H ALA A 9 -17.060 4.725 -5.678 1.00 0.43 H ATOM 118 HA ALA A 9 -14.429 4.122 -4.703 1.00 0.38 H ATOM 119 HB1 ALA A 9 -14.714 5.947 -7.040 1.00 1.17 H ATOM 120 HB2 ALA A 9 -13.558 6.396 -5.789 1.00 1.06 H ATOM 121 HB3 ALA A 9 -13.393 4.855 -6.624 1.00 1.03 H ATOM 122 N LYS A 10 -14.621 6.101 -3.104 1.00 0.45 N ATOM 123 CA LYS A 10 -14.958 7.107 -2.055 1.00 0.48 C ATOM 124 C LYS A 10 -13.788 8.088 -1.907 1.00 0.45 C ATOM 125 O LYS A 10 -12.685 7.796 -2.324 1.00 0.43 O ATOM 126 CB LYS A 10 -15.207 6.396 -0.724 1.00 0.50 C ATOM 127 CG LYS A 10 -16.681 6.536 -0.337 1.00 0.63 C ATOM 128 CD LYS A 10 -16.787 6.922 1.141 1.00 1.25 C ATOM 129 CE LYS A 10 -18.015 6.254 1.762 1.00 2.02 C ATOM 130 NZ LYS A 10 -17.913 6.315 3.248 1.00 2.59 N ATOM 131 H LYS A 10 -13.813 5.551 -3.014 1.00 0.49 H ATOM 132 HA LYS A 10 -15.846 7.648 -2.347 1.00 0.54 H ATOM 133 HB2 LYS A 10 -14.958 5.349 -0.825 1.00 0.48 H ATOM 134 HB3 LYS A 10 -14.592 6.840 0.044 1.00 0.56 H ATOM 135 HG2 LYS A 10 -17.143 7.300 -0.945 1.00 1.24 H ATOM 136 HG3 LYS A 10 -17.186 5.595 -0.497 1.00 1.10 H ATOM 137 HD2 LYS A 10 -15.898 6.596 1.662 1.00 1.83 H ATOM 138 HD3 LYS A 10 -16.881 7.994 1.227 1.00 1.79 H ATOM 139 HE2 LYS A 10 -18.907 6.769 1.441 1.00 2.50 H ATOM 140 HE3 LYS A 10 -18.061 5.221 1.448 1.00 2.52 H ATOM 141 HZ1 LYS A 10 -16.917 6.237 3.532 1.00 3.09 H ATOM 142 HZ2 LYS A 10 -18.297 7.221 3.586 1.00 2.79 H ATOM 143 HZ3 LYS A 10 -18.456 5.531 3.666 1.00 2.92 H ATOM 144 N PRO A 11 -14.067 9.227 -1.324 1.00 0.48 N ATOM 145 CA PRO A 11 -13.056 10.282 -1.115 1.00 0.47 C ATOM 146 C PRO A 11 -12.131 9.937 0.057 1.00 0.42 C ATOM 147 O PRO A 11 -12.515 10.002 1.206 1.00 0.44 O ATOM 148 CB PRO A 11 -13.893 11.526 -0.811 1.00 0.54 C ATOM 149 CG PRO A 11 -15.268 11.018 -0.313 1.00 0.57 C ATOM 150 CD PRO A 11 -15.412 9.569 -0.820 1.00 0.54 C ATOM 151 HA PRO A 11 -12.484 10.440 -2.014 1.00 0.48 H ATOM 152 HB2 PRO A 11 -13.411 12.115 -0.042 1.00 0.53 H ATOM 153 HB3 PRO A 11 -14.023 12.115 -1.705 1.00 0.57 H ATOM 154 HG2 PRO A 11 -15.303 11.044 0.767 1.00 0.57 H ATOM 155 HG3 PRO A 11 -16.057 11.628 -0.726 1.00 0.62 H ATOM 156 HD2 PRO A 11 -15.693 8.912 -0.009 1.00 0.54 H ATOM 157 HD3 PRO A 11 -16.134 9.517 -1.620 1.00 0.58 H ATOM 158 N ALA A 12 -10.909 9.585 -0.248 1.00 0.37 N ATOM 159 CA ALA A 12 -9.904 9.237 0.804 1.00 0.34 C ATOM 160 C ALA A 12 -10.571 8.575 2.021 1.00 0.36 C ATOM 161 O ALA A 12 -11.117 9.241 2.878 1.00 0.49 O ATOM 162 CB ALA A 12 -9.187 10.505 1.260 1.00 0.34 C ATOM 163 H ALA A 12 -10.641 9.559 -1.187 1.00 0.37 H ATOM 164 HA ALA A 12 -9.178 8.561 0.378 1.00 0.31 H ATOM 165 HB1 ALA A 12 -9.167 11.217 0.451 1.00 1.04 H ATOM 166 HB2 ALA A 12 -9.709 10.930 2.104 1.00 0.98 H ATOM 167 HB3 ALA A 12 -8.175 10.259 1.549 1.00 1.14 H ATOM 168 N THR A 13 -10.508 7.273 2.117 1.00 0.36 N ATOM 169 CA THR A 13 -11.116 6.579 3.294 1.00 0.38 C ATOM 170 C THR A 13 -10.186 6.751 4.498 1.00 0.36 C ATOM 171 O THR A 13 -9.081 7.229 4.353 1.00 0.34 O ATOM 172 CB THR A 13 -11.274 5.088 2.983 1.00 0.38 C ATOM 173 OG1 THR A 13 -10.759 4.812 1.689 1.00 0.35 O ATOM 174 CG2 THR A 13 -12.755 4.706 3.041 1.00 0.43 C ATOM 175 H THR A 13 -10.046 6.755 1.428 1.00 0.44 H ATOM 176 HA THR A 13 -12.075 6.997 3.519 1.00 0.42 H ATOM 177 HB THR A 13 -10.734 4.511 3.712 1.00 0.37 H ATOM 178 HG1 THR A 13 -10.999 3.910 1.461 1.00 0.67 H ATOM 179 HG21 THR A 13 -13.221 5.191 3.887 1.00 1.05 H ATOM 180 HG22 THR A 13 -13.244 5.023 2.134 1.00 1.15 H ATOM 181 HG23 THR A 13 -12.848 3.635 3.146 1.00 1.07 H ATOM 182 N PRO A 14 -10.644 6.324 5.648 1.00 0.40 N ATOM 183 CA PRO A 14 -9.844 6.389 6.880 1.00 0.40 C ATOM 184 C PRO A 14 -8.803 5.268 6.822 1.00 0.38 C ATOM 185 O PRO A 14 -7.937 5.141 7.664 1.00 0.39 O ATOM 186 CB PRO A 14 -10.871 6.163 7.994 1.00 0.46 C ATOM 187 CG PRO A 14 -12.072 5.442 7.337 1.00 0.48 C ATOM 188 CD PRO A 14 -11.983 5.729 5.825 1.00 0.44 C ATOM 189 HA PRO A 14 -9.373 7.353 6.986 1.00 0.40 H ATOM 190 HB2 PRO A 14 -10.443 5.544 8.772 1.00 0.47 H ATOM 191 HB3 PRO A 14 -11.192 7.107 8.402 1.00 0.48 H ATOM 192 HG2 PRO A 14 -12.011 4.378 7.521 1.00 0.48 H ATOM 193 HG3 PRO A 14 -12.998 5.834 7.728 1.00 0.52 H ATOM 194 HD2 PRO A 14 -12.065 4.807 5.267 1.00 0.44 H ATOM 195 HD3 PRO A 14 -12.747 6.428 5.524 1.00 0.47 H ATOM 196 N GLU A 15 -8.903 4.464 5.799 1.00 0.36 N ATOM 197 CA GLU A 15 -7.970 3.338 5.583 1.00 0.35 C ATOM 198 C GLU A 15 -6.996 3.745 4.483 1.00 0.33 C ATOM 199 O GLU A 15 -5.797 3.795 4.669 1.00 0.35 O ATOM 200 CB GLU A 15 -8.804 2.151 5.107 1.00 0.38 C ATOM 201 CG GLU A 15 -7.902 1.066 4.505 1.00 0.40 C ATOM 202 CD GLU A 15 -8.438 0.659 3.132 1.00 1.10 C ATOM 203 OE1 GLU A 15 -9.537 1.075 2.800 1.00 1.83 O ATOM 204 OE2 GLU A 15 -7.743 -0.061 2.434 1.00 1.82 O ATOM 205 H GLU A 15 -9.610 4.607 5.145 1.00 0.36 H ATOM 206 HA GLU A 15 -7.444 3.095 6.492 1.00 0.37 H ATOM 207 HB2 GLU A 15 -9.348 1.745 5.941 1.00 0.40 H ATOM 208 HB3 GLU A 15 -9.507 2.499 4.354 1.00 0.37 H ATOM 209 HG2 GLU A 15 -6.895 1.442 4.403 1.00 0.84 H ATOM 210 HG3 GLU A 15 -7.897 0.204 5.155 1.00 0.85 H ATOM 211 N ILE A 16 -7.529 4.041 3.333 1.00 0.31 N ATOM 212 CA ILE A 16 -6.681 4.461 2.183 1.00 0.31 C ATOM 213 C ILE A 16 -5.798 5.628 2.599 1.00 0.30 C ATOM 214 O ILE A 16 -4.615 5.645 2.341 1.00 0.32 O ATOM 215 CB ILE A 16 -7.579 4.912 1.035 1.00 0.30 C ATOM 216 CG1 ILE A 16 -8.527 3.773 0.666 1.00 0.31 C ATOM 217 CG2 ILE A 16 -6.717 5.269 -0.176 1.00 0.31 C ATOM 218 CD1 ILE A 16 -7.712 2.607 0.102 1.00 0.31 C ATOM 219 H ILE A 16 -8.503 3.988 3.229 1.00 0.32 H ATOM 220 HA ILE A 16 -6.066 3.635 1.859 1.00 0.33 H ATOM 221 HB ILE A 16 -8.151 5.781 1.338 1.00 0.31 H ATOM 222 HG12 ILE A 16 -9.062 3.448 1.547 1.00 0.34 H ATOM 223 HG13 ILE A 16 -9.228 4.115 -0.075 1.00 0.35 H ATOM 224 HG21 ILE A 16 -5.681 5.055 0.043 1.00 1.00 H ATOM 225 HG22 ILE A 16 -7.033 4.684 -1.027 1.00 1.11 H ATOM 226 HG23 ILE A 16 -6.829 6.319 -0.401 1.00 1.07 H ATOM 227 HD11 ILE A 16 -6.947 2.326 0.811 1.00 0.98 H ATOM 228 HD12 ILE A 16 -8.364 1.765 -0.077 1.00 1.04 H ATOM 229 HD13 ILE A 16 -7.248 2.907 -0.826 1.00 1.06 H ATOM 230 N GLN A 17 -6.366 6.610 3.230 1.00 0.30 N ATOM 231 CA GLN A 17 -5.558 7.778 3.651 1.00 0.31 C ATOM 232 C GLN A 17 -4.445 7.306 4.591 1.00 0.34 C ATOM 233 O GLN A 17 -3.375 7.878 4.635 1.00 0.37 O ATOM 234 CB GLN A 17 -6.468 8.800 4.338 1.00 0.33 C ATOM 235 CG GLN A 17 -6.591 8.495 5.833 1.00 0.37 C ATOM 236 CD GLN A 17 -7.670 9.388 6.449 1.00 0.77 C ATOM 237 OE1 GLN A 17 -8.138 9.128 7.539 1.00 1.03 O ATOM 238 NE2 GLN A 17 -8.086 10.439 5.795 1.00 1.13 N ATOM 239 H GLN A 17 -7.326 6.580 3.421 1.00 0.30 H ATOM 240 HA GLN A 17 -5.109 8.230 2.780 1.00 0.32 H ATOM 241 HB2 GLN A 17 -6.057 9.784 4.203 1.00 0.36 H ATOM 242 HB3 GLN A 17 -7.449 8.761 3.885 1.00 0.35 H ATOM 243 HG2 GLN A 17 -6.861 7.459 5.969 1.00 0.53 H ATOM 244 HG3 GLN A 17 -5.646 8.689 6.319 1.00 0.61 H ATOM 245 HE21 GLN A 17 -7.711 10.654 4.917 1.00 1.14 H ATOM 246 HE22 GLN A 17 -8.776 11.013 6.182 1.00 1.51 H ATOM 247 N GLU A 18 -4.678 6.251 5.325 1.00 0.35 N ATOM 248 CA GLU A 18 -3.614 5.740 6.230 1.00 0.39 C ATOM 249 C GLU A 18 -2.421 5.330 5.369 1.00 0.39 C ATOM 250 O GLU A 18 -1.279 5.487 5.750 1.00 0.43 O ATOM 251 CB GLU A 18 -4.137 4.533 7.014 1.00 0.44 C ATOM 252 CG GLU A 18 -3.166 4.195 8.150 1.00 0.81 C ATOM 253 CD GLU A 18 -3.313 2.720 8.526 1.00 1.22 C ATOM 254 OE1 GLU A 18 -4.222 2.409 9.279 1.00 1.94 O ATOM 255 OE2 GLU A 18 -2.515 1.926 8.057 1.00 1.88 O ATOM 256 H GLU A 18 -5.541 5.788 5.265 1.00 0.34 H ATOM 257 HA GLU A 18 -3.315 6.523 6.913 1.00 0.40 H ATOM 258 HB2 GLU A 18 -5.107 4.766 7.428 1.00 0.54 H ATOM 259 HB3 GLU A 18 -4.223 3.684 6.353 1.00 0.60 H ATOM 260 HG2 GLU A 18 -2.152 4.387 7.825 1.00 1.41 H ATOM 261 HG3 GLU A 18 -3.391 4.808 9.009 1.00 1.48 H ATOM 262 N ILE A 19 -2.686 4.829 4.191 1.00 0.37 N ATOM 263 CA ILE A 19 -1.578 4.439 3.275 1.00 0.39 C ATOM 264 C ILE A 19 -0.772 5.698 2.962 1.00 0.40 C ATOM 265 O ILE A 19 0.429 5.669 2.791 1.00 0.41 O ATOM 266 CB ILE A 19 -2.173 3.853 1.980 1.00 0.39 C ATOM 267 CG1 ILE A 19 -1.189 2.845 1.385 1.00 0.43 C ATOM 268 CG2 ILE A 19 -2.445 4.960 0.947 1.00 0.38 C ATOM 269 CD1 ILE A 19 0.194 3.490 1.272 1.00 0.47 C ATOM 270 H ILE A 19 -3.615 4.730 3.902 1.00 0.37 H ATOM 271 HA ILE A 19 -0.944 3.708 3.754 1.00 0.42 H ATOM 272 HB ILE A 19 -3.103 3.354 2.211 1.00 0.39 H ATOM 273 HG12 ILE A 19 -1.131 1.977 2.025 1.00 0.46 H ATOM 274 HG13 ILE A 19 -1.527 2.547 0.404 1.00 0.45 H ATOM 275 HG21 ILE A 19 -2.768 5.856 1.452 1.00 1.08 H ATOM 276 HG22 ILE A 19 -1.540 5.168 0.396 1.00 0.99 H ATOM 277 HG23 ILE A 19 -3.215 4.635 0.265 1.00 0.98 H ATOM 278 HD11 ILE A 19 0.095 4.484 0.860 1.00 1.07 H ATOM 279 HD12 ILE A 19 0.645 3.550 2.251 1.00 1.10 H ATOM 280 HD13 ILE A 19 0.818 2.894 0.624 1.00 1.12 H ATOM 281 N VAL A 20 -1.457 6.801 2.885 1.00 0.41 N ATOM 282 CA VAL A 20 -0.794 8.092 2.583 1.00 0.44 C ATOM 283 C VAL A 20 0.033 8.523 3.799 1.00 0.48 C ATOM 284 O VAL A 20 0.972 9.276 3.686 1.00 0.53 O ATOM 285 CB VAL A 20 -1.878 9.128 2.265 1.00 0.42 C ATOM 286 CG1 VAL A 20 -1.333 10.550 2.432 1.00 0.44 C ATOM 287 CG2 VAL A 20 -2.347 8.938 0.821 1.00 0.45 C ATOM 288 H VAL A 20 -2.428 6.774 3.028 1.00 0.41 H ATOM 289 HA VAL A 20 -0.145 7.973 1.729 1.00 0.49 H ATOM 290 HB VAL A 20 -2.714 8.981 2.931 1.00 0.40 H ATOM 291 HG11 VAL A 20 -0.299 10.578 2.133 1.00 1.20 H ATOM 292 HG12 VAL A 20 -1.905 11.228 1.811 1.00 0.96 H ATOM 293 HG13 VAL A 20 -1.422 10.854 3.466 1.00 1.08 H ATOM 294 HG21 VAL A 20 -1.512 8.634 0.208 1.00 1.12 H ATOM 295 HG22 VAL A 20 -3.113 8.176 0.788 1.00 1.14 H ATOM 296 HG23 VAL A 20 -2.748 9.868 0.447 1.00 1.06 H ATOM 297 N ASP A 21 -0.304 8.033 4.961 1.00 0.50 N ATOM 298 CA ASP A 21 0.472 8.399 6.184 1.00 0.56 C ATOM 299 C ASP A 21 1.456 7.274 6.520 1.00 0.63 C ATOM 300 O ASP A 21 2.159 7.330 7.509 1.00 0.80 O ATOM 301 CB ASP A 21 -0.487 8.602 7.359 1.00 0.61 C ATOM 302 CG ASP A 21 0.288 9.130 8.567 1.00 0.80 C ATOM 303 OD1 ASP A 21 0.884 10.188 8.449 1.00 1.35 O ATOM 304 OD2 ASP A 21 0.273 8.468 9.593 1.00 1.50 O ATOM 305 H ASP A 21 -1.061 7.416 5.029 1.00 0.51 H ATOM 306 HA ASP A 21 1.021 9.314 6.004 1.00 0.59 H ATOM 307 HB2 ASP A 21 -1.251 9.312 7.081 1.00 0.81 H ATOM 308 HB3 ASP A 21 -0.948 7.658 7.614 1.00 0.68 H ATOM 309 N LYS A 22 1.515 6.256 5.704 1.00 0.58 N ATOM 310 CA LYS A 22 2.458 5.134 5.976 1.00 0.67 C ATOM 311 C LYS A 22 3.606 5.187 4.966 1.00 0.57 C ATOM 312 O LYS A 22 4.716 5.555 5.291 1.00 0.58 O ATOM 313 CB LYS A 22 1.717 3.800 5.843 1.00 0.88 C ATOM 314 CG LYS A 22 2.160 2.855 6.963 1.00 0.90 C ATOM 315 CD LYS A 22 1.661 3.389 8.308 1.00 1.52 C ATOM 316 CE LYS A 22 0.795 2.329 8.992 1.00 2.21 C ATOM 317 NZ LYS A 22 -0.244 2.999 9.824 1.00 2.52 N ATOM 318 H LYS A 22 0.942 6.231 4.909 1.00 0.54 H ATOM 319 HA LYS A 22 2.854 5.230 6.977 1.00 0.75 H ATOM 320 HB2 LYS A 22 0.653 3.971 5.916 1.00 1.46 H ATOM 321 HB3 LYS A 22 1.946 3.355 4.887 1.00 1.19 H ATOM 322 HG2 LYS A 22 1.746 1.871 6.788 1.00 1.26 H ATOM 323 HG3 LYS A 22 3.237 2.794 6.979 1.00 1.04 H ATOM 324 HD2 LYS A 22 2.508 3.625 8.936 1.00 1.65 H ATOM 325 HD3 LYS A 22 1.074 4.280 8.146 1.00 1.91 H ATOM 326 HE2 LYS A 22 0.317 1.716 8.243 1.00 2.64 H ATOM 327 HE3 LYS A 22 1.417 1.711 9.623 1.00 2.67 H ATOM 328 HZ1 LYS A 22 0.210 3.683 10.462 1.00 2.81 H ATOM 329 HZ2 LYS A 22 -0.917 3.495 9.204 1.00 2.82 H ATOM 330 HZ3 LYS A 22 -0.750 2.286 10.387 1.00 2.85 H ATOM 331 N VAL A 23 3.344 4.823 3.739 1.00 0.55 N ATOM 332 CA VAL A 23 4.410 4.854 2.701 1.00 0.55 C ATOM 333 C VAL A 23 4.533 6.270 2.136 1.00 0.48 C ATOM 334 O VAL A 23 5.410 6.559 1.346 1.00 0.52 O ATOM 335 CB VAL A 23 4.038 3.892 1.576 1.00 0.66 C ATOM 336 CG1 VAL A 23 5.301 3.456 0.841 1.00 0.89 C ATOM 337 CG2 VAL A 23 3.344 2.664 2.169 1.00 0.73 C ATOM 338 H VAL A 23 2.443 4.530 3.496 1.00 0.61 H ATOM 339 HA VAL A 23 5.351 4.555 3.138 1.00 0.60 H ATOM 340 HB VAL A 23 3.371 4.385 0.885 1.00 0.74 H ATOM 341 HG11 VAL A 23 6.147 4.000 1.231 1.00 1.49 H ATOM 342 HG12 VAL A 23 5.454 2.397 0.987 1.00 1.35 H ATOM 343 HG13 VAL A 23 5.192 3.662 -0.212 1.00 1.24 H ATOM 344 HG21 VAL A 23 3.455 2.673 3.243 1.00 1.29 H ATOM 345 HG22 VAL A 23 2.295 2.686 1.914 1.00 1.27 H ATOM 346 HG23 VAL A 23 3.794 1.768 1.768 1.00 1.16 H ATOM 347 N LYS A 24 3.661 7.155 2.533 1.00 0.41 N ATOM 348 CA LYS A 24 3.726 8.550 2.020 1.00 0.37 C ATOM 349 C LYS A 24 3.675 9.537 3.192 1.00 0.36 C ATOM 350 O LYS A 24 2.872 10.449 3.190 1.00 0.32 O ATOM 351 CB LYS A 24 2.526 8.798 1.104 1.00 0.33 C ATOM 352 CG LYS A 24 2.694 8.004 -0.193 1.00 0.75 C ATOM 353 CD LYS A 24 2.093 6.608 -0.020 1.00 0.96 C ATOM 354 CE LYS A 24 1.006 6.384 -1.073 1.00 1.11 C ATOM 355 NZ LYS A 24 1.632 6.302 -2.423 1.00 1.35 N ATOM 356 H LYS A 24 2.961 6.902 3.171 1.00 0.41 H ATOM 357 HA LYS A 24 4.641 8.694 1.461 1.00 0.41 H ATOM 358 HB2 LYS A 24 1.624 8.481 1.605 1.00 0.51 H ATOM 359 HB3 LYS A 24 2.458 9.848 0.876 1.00 0.48 H ATOM 360 HG2 LYS A 24 2.187 8.519 -0.997 1.00 1.40 H ATOM 361 HG3 LYS A 24 3.744 7.916 -0.428 1.00 1.57 H ATOM 362 HD2 LYS A 24 2.870 5.866 -0.140 1.00 1.72 H ATOM 363 HD3 LYS A 24 1.660 6.522 0.965 1.00 1.62 H ATOM 364 HE2 LYS A 24 0.486 5.461 -0.862 1.00 1.71 H ATOM 365 HE3 LYS A 24 0.306 7.205 -1.049 1.00 1.71 H ATOM 366 HZ1 LYS A 24 2.657 6.461 -2.339 1.00 1.61 H ATOM 367 HZ2 LYS A 24 1.457 5.363 -2.831 1.00 1.84 H ATOM 368 HZ3 LYS A 24 1.218 7.028 -3.042 1.00 1.86 H ATOM 369 N PRO A 25 4.538 9.340 4.159 1.00 0.42 N ATOM 370 CA PRO A 25 4.603 10.213 5.346 1.00 0.44 C ATOM 371 C PRO A 25 5.252 11.550 4.992 1.00 0.44 C ATOM 372 O PRO A 25 5.451 12.400 5.837 1.00 0.48 O ATOM 373 CB PRO A 25 5.463 9.424 6.332 1.00 0.52 C ATOM 374 CG PRO A 25 6.299 8.440 5.482 1.00 0.55 C ATOM 375 CD PRO A 25 5.532 8.245 4.162 1.00 0.49 C ATOM 376 HA PRO A 25 3.618 10.370 5.756 1.00 0.44 H ATOM 377 HB2 PRO A 25 6.109 10.095 6.880 1.00 0.56 H ATOM 378 HB3 PRO A 25 4.835 8.872 7.013 1.00 0.55 H ATOM 379 HG2 PRO A 25 7.278 8.859 5.288 1.00 0.57 H ATOM 380 HG3 PRO A 25 6.393 7.494 5.993 1.00 0.60 H ATOM 381 HD2 PRO A 25 6.202 8.332 3.316 1.00 0.50 H ATOM 382 HD3 PRO A 25 5.037 7.291 4.160 1.00 0.50 H ATOM 383 N GLN A 26 5.547 11.758 3.740 1.00 0.42 N ATOM 384 CA GLN A 26 6.136 13.045 3.315 1.00 0.44 C ATOM 385 C GLN A 26 5.173 13.610 2.305 1.00 0.40 C ATOM 386 O GLN A 26 4.757 14.734 2.387 1.00 0.48 O ATOM 387 CB GLN A 26 7.506 12.813 2.673 1.00 0.48 C ATOM 388 CG GLN A 26 8.508 12.382 3.746 1.00 0.67 C ATOM 389 CD GLN A 26 9.855 13.063 3.493 1.00 1.24 C ATOM 390 OE1 GLN A 26 10.854 12.402 3.294 1.00 1.91 O ATOM 391 NE2 GLN A 26 9.924 14.366 3.493 1.00 1.99 N ATOM 392 H GLN A 26 5.347 11.075 3.060 1.00 0.40 H ATOM 393 HA GLN A 26 6.221 13.722 4.152 1.00 0.48 H ATOM 394 HB2 GLN A 26 7.423 12.038 1.923 1.00 0.48 H ATOM 395 HB3 GLN A 26 7.846 13.727 2.209 1.00 0.63 H ATOM 396 HG2 GLN A 26 8.137 12.669 4.720 1.00 1.16 H ATOM 397 HG3 GLN A 26 8.636 11.312 3.711 1.00 1.16 H ATOM 398 HE21 GLN A 26 9.118 14.900 3.654 1.00 2.36 H ATOM 399 HE22 GLN A 26 10.782 14.810 3.332 1.00 2.57 H ATOM 400 N LEU A 27 4.769 12.795 1.389 1.00 0.36 N ATOM 401 CA LEU A 27 3.788 13.226 0.380 1.00 0.34 C ATOM 402 C LEU A 27 2.462 13.543 1.089 1.00 0.35 C ATOM 403 O LEU A 27 1.559 14.129 0.524 1.00 0.37 O ATOM 404 CB LEU A 27 3.617 12.066 -0.598 1.00 0.36 C ATOM 405 CG LEU A 27 5.004 11.578 -1.049 1.00 0.53 C ATOM 406 CD1 LEU A 27 4.946 10.095 -1.421 1.00 1.55 C ATOM 407 CD2 LEU A 27 5.463 12.404 -2.253 1.00 0.78 C ATOM 408 H LEU A 27 5.085 11.868 1.386 1.00 0.39 H ATOM 409 HA LEU A 27 4.149 14.095 -0.145 1.00 0.35 H ATOM 410 HB2 LEU A 27 3.087 11.261 -0.114 1.00 0.34 H ATOM 411 HB3 LEU A 27 3.063 12.397 -1.448 1.00 0.46 H ATOM 412 HG LEU A 27 5.709 11.700 -0.244 1.00 1.07 H ATOM 413 HD11 LEU A 27 3.979 9.696 -1.163 1.00 2.07 H ATOM 414 HD12 LEU A 27 5.113 9.981 -2.481 1.00 1.92 H ATOM 415 HD13 LEU A 27 5.710 9.560 -0.880 1.00 2.23 H ATOM 416 HD21 LEU A 27 5.452 13.453 -1.993 1.00 1.34 H ATOM 417 HD22 LEU A 27 6.466 12.114 -2.528 1.00 1.53 H ATOM 418 HD23 LEU A 27 4.798 12.235 -3.085 1.00 1.36 H ATOM 419 N GLU A 28 2.351 13.142 2.332 1.00 0.37 N ATOM 420 CA GLU A 28 1.103 13.386 3.122 1.00 0.41 C ATOM 421 C GLU A 28 1.204 14.678 3.947 1.00 0.44 C ATOM 422 O GLU A 28 0.229 15.128 4.513 1.00 0.52 O ATOM 423 CB GLU A 28 0.884 12.213 4.077 1.00 0.46 C ATOM 424 CG GLU A 28 -0.261 12.539 5.037 1.00 0.51 C ATOM 425 CD GLU A 28 0.313 12.983 6.383 1.00 0.61 C ATOM 426 OE1 GLU A 28 1.517 13.166 6.460 1.00 1.24 O ATOM 427 OE2 GLU A 28 -0.460 13.131 7.316 1.00 1.24 O ATOM 428 H GLU A 28 3.096 12.675 2.751 1.00 0.38 H ATOM 429 HA GLU A 28 0.259 13.456 2.450 1.00 0.42 H ATOM 430 HB2 GLU A 28 0.639 11.330 3.510 1.00 0.49 H ATOM 431 HB3 GLU A 28 1.786 12.037 4.643 1.00 0.50 H ATOM 432 HG2 GLU A 28 -0.863 13.335 4.622 1.00 0.57 H ATOM 433 HG3 GLU A 28 -0.873 11.662 5.179 1.00 0.55 H ATOM 434 N GLU A 29 2.361 15.276 4.039 1.00 0.43 N ATOM 435 CA GLU A 29 2.480 16.527 4.847 1.00 0.50 C ATOM 436 C GLU A 29 3.475 17.439 4.154 1.00 0.49 C ATOM 437 O GLU A 29 4.049 18.336 4.739 1.00 0.63 O ATOM 438 CB GLU A 29 2.977 16.193 6.256 1.00 0.59 C ATOM 439 CG GLU A 29 4.287 15.409 6.165 1.00 0.54 C ATOM 440 CD GLU A 29 4.637 14.837 7.541 1.00 1.03 C ATOM 441 OE1 GLU A 29 3.737 14.714 8.356 1.00 1.49 O ATOM 442 OE2 GLU A 29 5.799 14.535 7.757 1.00 1.81 O ATOM 443 H GLU A 29 3.156 14.912 3.575 1.00 0.40 H ATOM 444 HA GLU A 29 1.518 17.015 4.904 1.00 0.52 H ATOM 445 HB2 GLU A 29 3.142 17.109 6.806 1.00 0.72 H ATOM 446 HB3 GLU A 29 2.237 15.595 6.767 1.00 0.63 H ATOM 447 HG2 GLU A 29 4.174 14.600 5.458 1.00 0.52 H ATOM 448 HG3 GLU A 29 5.079 16.066 5.839 1.00 0.85 H ATOM 449 N LYS A 30 3.677 17.193 2.901 1.00 0.49 N ATOM 450 CA LYS A 30 4.623 17.994 2.106 1.00 0.51 C ATOM 451 C LYS A 30 3.858 19.114 1.443 1.00 0.43 C ATOM 452 O LYS A 30 4.038 20.274 1.750 1.00 0.46 O ATOM 453 CB LYS A 30 5.210 17.065 1.057 1.00 0.52 C ATOM 454 CG LYS A 30 6.545 17.613 0.548 1.00 0.64 C ATOM 455 CD LYS A 30 7.240 16.555 -0.311 1.00 1.05 C ATOM 456 CE LYS A 30 7.117 16.928 -1.792 1.00 1.03 C ATOM 457 NZ LYS A 30 8.383 17.567 -2.250 1.00 1.68 N ATOM 458 H LYS A 30 3.197 16.459 2.469 1.00 0.59 H ATOM 459 HA LYS A 30 5.398 18.399 2.736 1.00 0.60 H ATOM 460 HB2 LYS A 30 5.350 16.101 1.507 1.00 0.56 H ATOM 461 HB3 LYS A 30 4.518 16.967 0.236 1.00 0.46 H ATOM 462 HG2 LYS A 30 6.368 18.500 -0.042 1.00 1.01 H ATOM 463 HG3 LYS A 30 7.175 17.862 1.389 1.00 0.95 H ATOM 464 HD2 LYS A 30 8.285 16.502 -0.041 1.00 1.73 H ATOM 465 HD3 LYS A 30 6.776 15.594 -0.145 1.00 1.76 H ATOM 466 HE2 LYS A 30 6.932 16.036 -2.373 1.00 1.67 H ATOM 467 HE3 LYS A 30 6.295 17.619 -1.924 1.00 1.01 H ATOM 468 HZ1 LYS A 30 8.572 18.413 -1.678 1.00 2.17 H ATOM 469 HZ2 LYS A 30 9.168 16.891 -2.144 1.00 2.18 H ATOM 470 HZ3 LYS A 30 8.292 17.839 -3.249 1.00 2.07 H ATOM 471 N THR A 31 2.983 18.766 0.553 1.00 0.36 N ATOM 472 CA THR A 31 2.163 19.796 -0.119 1.00 0.33 C ATOM 473 C THR A 31 1.674 20.774 0.945 1.00 0.39 C ATOM 474 O THR A 31 1.482 21.947 0.691 1.00 0.43 O ATOM 475 CB THR A 31 0.989 19.091 -0.797 1.00 0.30 C ATOM 476 OG1 THR A 31 0.501 19.893 -1.865 1.00 0.35 O ATOM 477 CG2 THR A 31 -0.142 18.835 0.205 1.00 0.36 C ATOM 478 H THR A 31 2.850 17.817 0.345 1.00 0.35 H ATOM 479 HA THR A 31 2.756 20.317 -0.857 1.00 0.34 H ATOM 480 HB THR A 31 1.340 18.145 -1.178 1.00 0.30 H ATOM 481 HG1 THR A 31 0.255 19.310 -2.587 1.00 0.79 H ATOM 482 HG21 THR A 31 0.269 18.750 1.199 1.00 1.06 H ATOM 483 HG22 THR A 31 -0.845 19.654 0.174 1.00 1.13 H ATOM 484 HG23 THR A 31 -0.650 17.917 -0.053 1.00 1.04 H ATOM 485 N ASN A 32 1.502 20.279 2.146 1.00 0.44 N ATOM 486 CA ASN A 32 1.052 21.137 3.273 1.00 0.56 C ATOM 487 C ASN A 32 0.064 22.189 2.753 1.00 0.58 C ATOM 488 O ASN A 32 0.108 23.346 3.123 1.00 0.68 O ATOM 489 CB ASN A 32 2.297 21.784 3.908 1.00 0.65 C ATOM 490 CG ASN A 32 2.626 23.120 3.229 1.00 0.70 C ATOM 491 OD1 ASN A 32 2.293 24.172 3.740 1.00 1.14 O ATOM 492 ND2 ASN A 32 3.269 23.125 2.093 1.00 1.39 N ATOM 493 H ASN A 32 1.688 19.330 2.306 1.00 0.43 H ATOM 494 HA ASN A 32 0.557 20.521 4.010 1.00 0.59 H ATOM 495 HB2 ASN A 32 2.113 21.955 4.959 1.00 0.73 H ATOM 496 HB3 ASN A 32 3.142 21.108 3.798 1.00 0.67 H ATOM 497 HD21 ASN A 32 3.539 22.282 1.680 1.00 2.08 H ATOM 498 HD22 ASN A 32 3.485 23.976 1.658 1.00 1.45 H ATOM 499 N GLU A 33 -0.828 21.786 1.888 1.00 0.53 N ATOM 500 CA GLU A 33 -1.814 22.751 1.324 1.00 0.60 C ATOM 501 C GLU A 33 -2.773 23.222 2.419 1.00 0.68 C ATOM 502 O GLU A 33 -2.902 22.603 3.456 1.00 0.69 O ATOM 503 CB GLU A 33 -2.609 22.071 0.208 1.00 0.57 C ATOM 504 CG GLU A 33 -1.937 22.351 -1.139 1.00 1.05 C ATOM 505 CD GLU A 33 -2.608 23.555 -1.802 1.00 1.27 C ATOM 506 OE1 GLU A 33 -2.566 24.627 -1.221 1.00 1.87 O ATOM 507 OE2 GLU A 33 -3.154 23.385 -2.880 1.00 1.90 O ATOM 508 H GLU A 33 -0.844 20.845 1.601 1.00 0.48 H ATOM 509 HA GLU A 33 -1.290 23.603 0.919 1.00 0.67 H ATOM 510 HB2 GLU A 33 -2.635 21.005 0.384 1.00 0.77 H ATOM 511 HB3 GLU A 33 -3.616 22.459 0.194 1.00 0.91 H ATOM 512 HG2 GLU A 33 -0.890 22.562 -0.982 1.00 1.54 H ATOM 513 HG3 GLU A 33 -2.040 21.487 -1.779 1.00 1.67 H ATOM 514 N THR A 34 -3.448 24.317 2.191 1.00 0.78 N ATOM 515 CA THR A 34 -4.401 24.836 3.212 1.00 0.88 C ATOM 516 C THR A 34 -5.786 24.247 2.959 1.00 0.83 C ATOM 517 O THR A 34 -6.795 24.909 3.105 1.00 0.90 O ATOM 518 CB THR A 34 -4.469 26.361 3.117 1.00 1.02 C ATOM 519 OG1 THR A 34 -5.374 26.853 4.095 1.00 1.18 O ATOM 520 CG2 THR A 34 -4.951 26.764 1.723 1.00 1.06 C ATOM 521 H THR A 34 -3.327 24.799 1.347 1.00 0.82 H ATOM 522 HA THR A 34 -4.064 24.550 4.196 1.00 0.90 H ATOM 523 HB THR A 34 -3.489 26.777 3.289 1.00 1.04 H ATOM 524 HG1 THR A 34 -4.928 26.838 4.945 1.00 1.37 H ATOM 525 HG21 THR A 34 -5.447 25.926 1.256 1.00 1.43 H ATOM 526 HG22 THR A 34 -5.641 27.591 1.806 1.00 1.45 H ATOM 527 HG23 THR A 34 -4.104 27.062 1.121 1.00 1.49 H ATOM 528 N TYR A 35 -5.839 23.002 2.585 1.00 0.73 N ATOM 529 CA TYR A 35 -7.152 22.353 2.326 1.00 0.71 C ATOM 530 C TYR A 35 -7.113 20.929 2.859 1.00 0.67 C ATOM 531 O TYR A 35 -6.372 20.611 3.768 1.00 0.69 O ATOM 532 CB TYR A 35 -7.419 22.294 0.818 1.00 0.72 C ATOM 533 CG TYR A 35 -6.989 23.589 0.169 1.00 0.79 C ATOM 534 CD1 TYR A 35 -7.704 24.767 0.420 1.00 1.40 C ATOM 535 CD2 TYR A 35 -5.882 23.611 -0.687 1.00 1.50 C ATOM 536 CE1 TYR A 35 -7.311 25.967 -0.184 1.00 1.47 C ATOM 537 CE2 TYR A 35 -5.489 24.811 -1.292 1.00 1.54 C ATOM 538 CZ TYR A 35 -6.204 25.989 -1.040 1.00 0.97 C ATOM 539 OH TYR A 35 -5.817 27.171 -1.638 1.00 1.08 O ATOM 540 H TYR A 35 -5.010 22.490 2.481 1.00 0.68 H ATOM 541 HA TYR A 35 -7.940 22.907 2.815 1.00 0.75 H ATOM 542 HB2 TYR A 35 -6.864 21.466 0.387 1.00 0.68 H ATOM 543 HB3 TYR A 35 -8.475 22.142 0.648 1.00 0.76 H ATOM 544 HD1 TYR A 35 -8.558 24.751 1.081 1.00 2.20 H ATOM 545 HD2 TYR A 35 -5.331 22.703 -0.881 1.00 2.31 H ATOM 546 HE1 TYR A 35 -7.862 26.876 0.009 1.00 2.28 H ATOM 547 HE2 TYR A 35 -4.636 24.828 -1.952 1.00 2.35 H ATOM 548 HH TYR A 35 -6.357 27.299 -2.421 1.00 1.54 H ATOM 549 N GLY A 36 -7.889 20.065 2.278 1.00 0.64 N ATOM 550 CA GLY A 36 -7.888 18.651 2.714 1.00 0.60 C ATOM 551 C GLY A 36 -7.374 17.808 1.552 1.00 0.53 C ATOM 552 O GLY A 36 -8.097 17.022 0.974 1.00 0.55 O ATOM 553 H GLY A 36 -8.462 20.346 1.536 1.00 0.66 H ATOM 554 HA2 GLY A 36 -7.240 18.533 3.572 1.00 0.61 H ATOM 555 HA3 GLY A 36 -8.891 18.344 2.965 1.00 0.65 H ATOM 556 N LYS A 37 -6.123 17.962 1.204 1.00 0.47 N ATOM 557 CA LYS A 37 -5.566 17.172 0.091 1.00 0.41 C ATOM 558 C LYS A 37 -4.231 16.625 0.575 1.00 0.35 C ATOM 559 O LYS A 37 -3.288 16.461 -0.152 1.00 0.31 O ATOM 560 CB LYS A 37 -5.377 18.065 -1.136 1.00 0.41 C ATOM 561 CG LYS A 37 -6.718 18.231 -1.858 1.00 0.48 C ATOM 562 CD LYS A 37 -7.394 19.523 -1.394 1.00 1.09 C ATOM 563 CE LYS A 37 -6.861 20.700 -2.213 1.00 0.81 C ATOM 564 NZ LYS A 37 -7.709 20.888 -3.424 1.00 1.14 N ATOM 565 H LYS A 37 -5.540 18.591 1.688 1.00 0.47 H ATOM 566 HA LYS A 37 -6.238 16.371 -0.144 1.00 0.41 H ATOM 567 HB2 LYS A 37 -5.012 19.033 -0.826 1.00 0.44 H ATOM 568 HB3 LYS A 37 -4.666 17.610 -1.807 1.00 0.37 H ATOM 569 HG2 LYS A 37 -6.550 18.274 -2.924 1.00 0.72 H ATOM 570 HG3 LYS A 37 -7.357 17.390 -1.628 1.00 0.75 H ATOM 571 HD2 LYS A 37 -8.462 19.441 -1.534 1.00 1.77 H ATOM 572 HD3 LYS A 37 -7.178 19.687 -0.349 1.00 1.95 H ATOM 573 HE2 LYS A 37 -6.887 21.597 -1.613 1.00 1.01 H ATOM 574 HE3 LYS A 37 -5.842 20.498 -2.513 1.00 1.13 H ATOM 575 HZ1 LYS A 37 -7.842 19.972 -3.900 1.00 1.73 H ATOM 576 HZ2 LYS A 37 -8.634 21.269 -3.145 1.00 1.58 H ATOM 577 HZ3 LYS A 37 -7.240 21.552 -4.074 1.00 1.46 H ATOM 578 N LEU A 38 -4.163 16.375 1.837 1.00 0.37 N ATOM 579 CA LEU A 38 -2.938 15.880 2.468 1.00 0.35 C ATOM 580 C LEU A 38 -3.226 14.482 2.980 1.00 0.34 C ATOM 581 O LEU A 38 -3.198 14.231 4.166 1.00 0.38 O ATOM 582 CB LEU A 38 -2.678 16.773 3.660 1.00 0.41 C ATOM 583 CG LEU A 38 -3.019 18.246 3.342 1.00 0.52 C ATOM 584 CD1 LEU A 38 -2.771 18.590 1.867 1.00 0.93 C ATOM 585 CD2 LEU A 38 -4.472 18.544 3.720 1.00 1.07 C ATOM 586 H LEU A 38 -4.928 16.536 2.394 1.00 0.42 H ATOM 587 HA LEU A 38 -2.106 15.900 1.785 1.00 0.32 H ATOM 588 HB2 LEU A 38 -3.309 16.431 4.463 1.00 0.49 H ATOM 589 HB3 LEU A 38 -1.647 16.695 3.948 1.00 0.47 H ATOM 590 HG LEU A 38 -2.399 18.868 3.926 1.00 0.47 H ATOM 591 HD11 LEU A 38 -2.237 17.783 1.388 1.00 1.52 H ATOM 592 HD12 LEU A 38 -3.717 18.741 1.369 1.00 1.51 H ATOM 593 HD13 LEU A 38 -2.186 19.494 1.804 1.00 1.35 H ATOM 594 HD21 LEU A 38 -5.084 17.678 3.546 1.00 1.44 H ATOM 595 HD22 LEU A 38 -4.519 18.809 4.765 1.00 1.65 H ATOM 596 HD23 LEU A 38 -4.832 19.368 3.127 1.00 1.65 H ATOM 597 N GLU A 39 -3.564 13.586 2.113 1.00 0.31 N ATOM 598 CA GLU A 39 -3.923 12.229 2.573 1.00 0.31 C ATOM 599 C GLU A 39 -4.296 11.404 1.349 1.00 0.28 C ATOM 600 O GLU A 39 -3.834 11.661 0.255 1.00 0.29 O ATOM 601 CB GLU A 39 -5.128 12.366 3.509 1.00 0.36 C ATOM 602 CG GLU A 39 -4.849 11.641 4.831 1.00 0.79 C ATOM 603 CD GLU A 39 -4.229 12.612 5.837 1.00 1.24 C ATOM 604 OE1 GLU A 39 -4.714 13.728 5.928 1.00 1.84 O ATOM 605 OE2 GLU A 39 -3.281 12.225 6.498 1.00 1.87 O ATOM 606 H GLU A 39 -3.620 13.814 1.161 1.00 0.29 H ATOM 607 HA GLU A 39 -3.108 11.775 3.097 1.00 0.32 H ATOM 608 HB2 GLU A 39 -5.303 13.416 3.706 1.00 0.57 H ATOM 609 HB3 GLU A 39 -6.000 11.942 3.039 1.00 0.54 H ATOM 610 HG2 GLU A 39 -5.776 11.258 5.232 1.00 1.26 H ATOM 611 HG3 GLU A 39 -4.167 10.822 4.657 1.00 1.17 H ATOM 612 N ALA A 40 -5.146 10.442 1.506 1.00 0.30 N ATOM 613 CA ALA A 40 -5.561 9.642 0.323 1.00 0.29 C ATOM 614 C ALA A 40 -6.522 10.485 -0.514 1.00 0.32 C ATOM 615 O ALA A 40 -7.134 11.414 -0.026 1.00 0.36 O ATOM 616 CB ALA A 40 -6.273 8.367 0.776 1.00 0.34 C ATOM 617 H ALA A 40 -5.526 10.263 2.391 1.00 0.34 H ATOM 618 HA ALA A 40 -4.692 9.388 -0.276 1.00 0.27 H ATOM 619 HB1 ALA A 40 -6.712 8.528 1.750 1.00 1.04 H ATOM 620 HB2 ALA A 40 -7.051 8.119 0.068 1.00 1.11 H ATOM 621 HB3 ALA A 40 -5.563 7.556 0.829 1.00 1.07 H ATOM 622 N VAL A 41 -6.663 10.163 -1.763 1.00 0.32 N ATOM 623 CA VAL A 41 -7.586 10.932 -2.635 1.00 0.37 C ATOM 624 C VAL A 41 -8.878 10.144 -2.766 1.00 0.39 C ATOM 625 O VAL A 41 -9.962 10.690 -2.804 1.00 0.42 O ATOM 626 CB VAL A 41 -6.930 11.127 -4.016 1.00 0.38 C ATOM 627 CG1 VAL A 41 -7.749 10.454 -5.110 1.00 0.41 C ATOM 628 CG2 VAL A 41 -6.843 12.616 -4.330 1.00 0.41 C ATOM 629 H VAL A 41 -6.170 9.407 -2.130 1.00 0.30 H ATOM 630 HA VAL A 41 -7.796 11.892 -2.192 1.00 0.39 H ATOM 631 HB VAL A 41 -5.939 10.696 -4.008 1.00 0.35 H ATOM 632 HG11 VAL A 41 -7.881 9.413 -4.863 1.00 1.10 H ATOM 633 HG12 VAL A 41 -8.713 10.936 -5.177 1.00 1.00 H ATOM 634 HG13 VAL A 41 -7.231 10.545 -6.049 1.00 1.15 H ATOM 635 HG21 VAL A 41 -7.384 13.172 -3.579 1.00 1.00 H ATOM 636 HG22 VAL A 41 -5.810 12.924 -4.330 1.00 1.07 H ATOM 637 HG23 VAL A 41 -7.277 12.803 -5.300 1.00 1.17 H ATOM 638 N GLN A 42 -8.757 8.856 -2.861 1.00 0.39 N ATOM 639 CA GLN A 42 -9.969 8.018 -3.018 1.00 0.42 C ATOM 640 C GLN A 42 -9.553 6.598 -3.382 1.00 0.38 C ATOM 641 O GLN A 42 -8.422 6.338 -3.744 1.00 0.47 O ATOM 642 CB GLN A 42 -10.863 8.650 -4.114 1.00 0.47 C ATOM 643 CG GLN A 42 -11.337 7.607 -5.149 1.00 0.46 C ATOM 644 CD GLN A 42 -10.152 7.178 -6.018 1.00 0.87 C ATOM 645 OE1 GLN A 42 -9.468 8.005 -6.588 1.00 1.44 O ATOM 646 NE2 GLN A 42 -9.887 5.909 -6.143 1.00 1.09 N ATOM 647 H GLN A 42 -7.859 8.444 -2.845 1.00 0.38 H ATOM 648 HA GLN A 42 -10.511 7.997 -2.084 1.00 0.44 H ATOM 649 HB2 GLN A 42 -11.723 9.102 -3.648 1.00 0.56 H ATOM 650 HB3 GLN A 42 -10.296 9.419 -4.622 1.00 0.51 H ATOM 651 HG2 GLN A 42 -11.743 6.743 -4.640 1.00 0.89 H ATOM 652 HG3 GLN A 42 -12.101 8.039 -5.778 1.00 0.80 H ATOM 653 HE21 GLN A 42 -10.448 5.254 -5.696 1.00 0.93 H ATOM 654 HE22 GLN A 42 -9.115 5.613 -6.665 1.00 1.61 H ATOM 655 N TYR A 43 -10.464 5.683 -3.293 1.00 0.33 N ATOM 656 CA TYR A 43 -10.144 4.283 -3.636 1.00 0.31 C ATOM 657 C TYR A 43 -11.357 3.648 -4.306 1.00 0.34 C ATOM 658 O TYR A 43 -12.418 3.538 -3.721 1.00 0.36 O ATOM 659 CB TYR A 43 -9.810 3.523 -2.369 1.00 0.30 C ATOM 660 CG TYR A 43 -11.009 3.554 -1.451 1.00 0.33 C ATOM 661 CD1 TYR A 43 -11.467 4.773 -0.927 1.00 1.29 C ATOM 662 CD2 TYR A 43 -11.674 2.367 -1.138 1.00 1.19 C ATOM 663 CE1 TYR A 43 -12.591 4.796 -0.092 1.00 1.31 C ATOM 664 CE2 TYR A 43 -12.795 2.389 -0.301 1.00 1.23 C ATOM 665 CZ TYR A 43 -13.254 3.603 0.222 1.00 0.49 C ATOM 666 OH TYR A 43 -14.364 3.624 1.044 1.00 0.58 O ATOM 667 H TYR A 43 -11.370 5.920 -3.003 1.00 0.39 H ATOM 668 HA TYR A 43 -9.301 4.258 -4.309 1.00 0.32 H ATOM 669 HB2 TYR A 43 -9.569 2.504 -2.626 1.00 0.32 H ATOM 670 HB3 TYR A 43 -8.966 3.987 -1.885 1.00 0.29 H ATOM 671 HD1 TYR A 43 -10.952 5.696 -1.164 1.00 2.18 H ATOM 672 HD2 TYR A 43 -11.319 1.432 -1.539 1.00 2.08 H ATOM 673 HE1 TYR A 43 -12.945 5.733 0.313 1.00 2.19 H ATOM 674 HE2 TYR A 43 -13.307 1.469 -0.060 1.00 2.12 H ATOM 675 HH TYR A 43 -14.777 4.486 0.962 1.00 0.82 H ATOM 676 N LYS A 44 -11.210 3.234 -5.529 1.00 0.37 N ATOM 677 CA LYS A 44 -12.349 2.607 -6.233 1.00 0.41 C ATOM 678 C LYS A 44 -12.226 1.093 -6.061 1.00 0.37 C ATOM 679 O LYS A 44 -11.144 0.571 -5.902 1.00 0.38 O ATOM 680 CB LYS A 44 -12.324 3.032 -7.723 1.00 0.51 C ATOM 681 CG LYS A 44 -12.272 1.827 -8.683 1.00 0.47 C ATOM 682 CD LYS A 44 -13.687 1.289 -8.934 1.00 0.94 C ATOM 683 CE LYS A 44 -14.571 2.390 -9.527 1.00 0.64 C ATOM 684 NZ LYS A 44 -14.985 2.004 -10.907 1.00 0.93 N ATOM 685 H LYS A 44 -10.349 3.333 -5.981 1.00 0.38 H ATOM 686 HA LYS A 44 -13.263 2.954 -5.774 1.00 0.44 H ATOM 687 HB2 LYS A 44 -13.211 3.603 -7.936 1.00 0.69 H ATOM 688 HB3 LYS A 44 -11.457 3.654 -7.892 1.00 0.70 H ATOM 689 HG2 LYS A 44 -11.842 2.145 -9.624 1.00 0.78 H ATOM 690 HG3 LYS A 44 -11.659 1.047 -8.262 1.00 1.06 H ATOM 691 HD2 LYS A 44 -13.637 0.461 -9.625 1.00 1.63 H ATOM 692 HD3 LYS A 44 -14.115 0.953 -8.007 1.00 1.62 H ATOM 693 HE2 LYS A 44 -15.449 2.518 -8.911 1.00 0.59 H ATOM 694 HE3 LYS A 44 -14.021 3.316 -9.563 1.00 0.71 H ATOM 695 HZ1 LYS A 44 -14.356 1.255 -11.261 1.00 1.26 H ATOM 696 HZ2 LYS A 44 -15.963 1.653 -10.890 1.00 1.53 H ATOM 697 HZ3 LYS A 44 -14.923 2.833 -11.532 1.00 1.38 H ATOM 698 N THR A 45 -13.307 0.377 -6.076 1.00 0.43 N ATOM 699 CA THR A 45 -13.193 -1.093 -5.899 1.00 0.41 C ATOM 700 C THR A 45 -13.832 -1.823 -7.080 1.00 0.45 C ATOM 701 O THR A 45 -14.958 -1.564 -7.455 1.00 0.51 O ATOM 702 CB THR A 45 -13.894 -1.509 -4.607 1.00 0.48 C ATOM 703 OG1 THR A 45 -14.569 -0.387 -4.055 1.00 0.64 O ATOM 704 CG2 THR A 45 -12.863 -2.029 -3.604 1.00 0.49 C ATOM 705 H THR A 45 -14.181 0.801 -6.194 1.00 0.54 H ATOM 706 HA THR A 45 -12.145 -1.363 -5.841 1.00 0.35 H ATOM 707 HB THR A 45 -14.606 -2.290 -4.822 1.00 0.49 H ATOM 708 HG1 THR A 45 -15.135 -0.702 -3.345 1.00 0.94 H ATOM 709 HG21 THR A 45 -12.059 -1.312 -3.509 1.00 1.21 H ATOM 710 HG22 THR A 45 -13.335 -2.170 -2.644 1.00 1.17 H ATOM 711 HG23 THR A 45 -12.465 -2.971 -3.952 1.00 1.02 H ATOM 712 N GLN A 46 -13.117 -2.749 -7.652 1.00 0.49 N ATOM 713 CA GLN A 46 -13.662 -3.526 -8.797 1.00 0.57 C ATOM 714 C GLN A 46 -12.984 -4.897 -8.817 1.00 0.56 C ATOM 715 O GLN A 46 -11.792 -5.007 -8.630 1.00 0.76 O ATOM 716 CB GLN A 46 -13.387 -2.784 -10.112 1.00 0.60 C ATOM 717 CG GLN A 46 -11.895 -2.852 -10.454 1.00 0.70 C ATOM 718 CD GLN A 46 -11.687 -2.431 -11.910 1.00 0.89 C ATOM 719 OE1 GLN A 46 -11.274 -1.319 -12.181 1.00 1.59 O ATOM 720 NE2 GLN A 46 -11.957 -3.277 -12.865 1.00 1.43 N ATOM 721 H GLN A 46 -12.217 -2.943 -7.316 1.00 0.51 H ATOM 722 HA GLN A 46 -14.727 -3.654 -8.670 1.00 0.62 H ATOM 723 HB2 GLN A 46 -13.958 -3.240 -10.907 1.00 0.65 H ATOM 724 HB3 GLN A 46 -13.682 -1.750 -10.007 1.00 0.67 H ATOM 725 HG2 GLN A 46 -11.344 -2.188 -9.804 1.00 0.96 H ATOM 726 HG3 GLN A 46 -11.539 -3.860 -10.325 1.00 1.02 H ATOM 727 HE21 GLN A 46 -12.289 -4.173 -12.645 1.00 2.00 H ATOM 728 HE22 GLN A 46 -11.827 -3.019 -13.801 1.00 1.69 H ATOM 729 N VAL A 47 -13.734 -5.941 -9.027 1.00 0.50 N ATOM 730 CA VAL A 47 -13.132 -7.301 -9.045 1.00 0.51 C ATOM 731 C VAL A 47 -12.141 -7.419 -10.187 1.00 0.50 C ATOM 732 O VAL A 47 -11.605 -6.437 -10.658 1.00 0.48 O ATOM 733 CB VAL A 47 -14.248 -8.333 -9.201 1.00 0.59 C ATOM 734 CG1 VAL A 47 -15.256 -8.166 -8.062 1.00 1.26 C ATOM 735 CG2 VAL A 47 -14.956 -8.121 -10.540 1.00 1.50 C ATOM 736 H VAL A 47 -14.696 -5.835 -9.165 1.00 0.61 H ATOM 737 HA VAL A 47 -12.599 -7.483 -8.127 1.00 0.49 H ATOM 738 HB VAL A 47 -13.831 -9.324 -9.163 1.00 1.10 H ATOM 739 HG11 VAL A 47 -14.921 -7.385 -7.395 1.00 1.87 H ATOM 740 HG12 VAL A 47 -16.220 -7.903 -8.470 1.00 1.73 H ATOM 741 HG13 VAL A 47 -15.339 -9.095 -7.516 1.00 1.87 H ATOM 742 HG21 VAL A 47 -14.750 -7.125 -10.903 1.00 1.93 H ATOM 743 HG22 VAL A 47 -14.599 -8.847 -11.256 1.00 2.01 H ATOM 744 HG23 VAL A 47 -16.021 -8.242 -10.407 1.00 2.17 H ATOM 745 N VAL A 48 -11.867 -8.627 -10.595 1.00 0.52 N ATOM 746 CA VAL A 48 -10.877 -8.872 -11.676 1.00 0.55 C ATOM 747 C VAL A 48 -10.525 -10.356 -11.635 1.00 0.56 C ATOM 748 O VAL A 48 -10.542 -11.063 -12.623 1.00 0.62 O ATOM 749 CB VAL A 48 -9.619 -8.014 -11.387 1.00 0.50 C ATOM 750 CG1 VAL A 48 -8.453 -8.863 -10.866 1.00 0.47 C ATOM 751 CG2 VAL A 48 -9.191 -7.284 -12.661 1.00 0.57 C ATOM 752 H VAL A 48 -12.298 -9.390 -10.159 1.00 0.54 H ATOM 753 HA VAL A 48 -11.297 -8.610 -12.636 1.00 0.60 H ATOM 754 HB VAL A 48 -9.857 -7.297 -10.627 1.00 0.46 H ATOM 755 HG11 VAL A 48 -8.320 -9.725 -11.499 1.00 1.06 H ATOM 756 HG12 VAL A 48 -7.553 -8.272 -10.865 1.00 1.01 H ATOM 757 HG13 VAL A 48 -8.669 -9.185 -9.857 1.00 1.14 H ATOM 758 HG21 VAL A 48 -9.942 -7.423 -13.425 1.00 1.00 H ATOM 759 HG22 VAL A 48 -9.083 -6.229 -12.452 1.00 1.24 H ATOM 760 HG23 VAL A 48 -8.248 -7.680 -13.006 1.00 1.14 H ATOM 761 N ALA A 49 -10.187 -10.790 -10.462 1.00 0.53 N ATOM 762 CA ALA A 49 -9.782 -12.199 -10.216 1.00 0.55 C ATOM 763 C ALA A 49 -8.992 -12.195 -8.913 1.00 0.47 C ATOM 764 O ALA A 49 -7.908 -12.727 -8.819 1.00 0.46 O ATOM 765 CB ALA A 49 -8.890 -12.694 -11.353 1.00 0.63 C ATOM 766 H ALA A 49 -10.182 -10.153 -9.713 1.00 0.50 H ATOM 767 HA ALA A 49 -10.657 -12.827 -10.121 1.00 0.60 H ATOM 768 HB1 ALA A 49 -8.722 -11.893 -12.057 1.00 1.08 H ATOM 769 HB2 ALA A 49 -7.944 -13.016 -10.944 1.00 1.22 H ATOM 770 HB3 ALA A 49 -9.368 -13.522 -11.854 1.00 1.25 H ATOM 771 N GLY A 50 -9.529 -11.547 -7.924 1.00 0.43 N ATOM 772 CA GLY A 50 -8.846 -11.422 -6.607 1.00 0.39 C ATOM 773 C GLY A 50 -9.397 -10.161 -5.945 1.00 0.37 C ATOM 774 O GLY A 50 -9.449 -10.053 -4.737 1.00 0.41 O ATOM 775 H GLY A 50 -10.393 -11.106 -8.057 1.00 0.45 H ATOM 776 HA2 GLY A 50 -9.061 -12.289 -5.996 1.00 0.42 H ATOM 777 HA3 GLY A 50 -7.783 -11.321 -6.749 1.00 0.37 H ATOM 778 N THR A 51 -9.822 -9.228 -6.773 1.00 0.36 N ATOM 779 CA THR A 51 -10.421 -7.935 -6.320 1.00 0.35 C ATOM 780 C THR A 51 -9.460 -6.778 -6.595 1.00 0.32 C ATOM 781 O THR A 51 -8.595 -6.469 -5.798 1.00 0.33 O ATOM 782 CB THR A 51 -10.760 -7.974 -4.840 1.00 0.37 C ATOM 783 OG1 THR A 51 -11.557 -9.119 -4.566 1.00 0.43 O ATOM 784 CG2 THR A 51 -11.535 -6.710 -4.469 1.00 0.42 C ATOM 785 H THR A 51 -9.752 -9.391 -7.727 1.00 0.40 H ATOM 786 HA THR A 51 -11.327 -7.767 -6.879 1.00 0.38 H ATOM 787 HB THR A 51 -9.847 -8.022 -4.275 1.00 0.36 H ATOM 788 HG1 THR A 51 -11.293 -9.467 -3.712 1.00 0.88 H ATOM 789 HG21 THR A 51 -10.931 -5.843 -4.686 1.00 0.95 H ATOM 790 HG22 THR A 51 -12.446 -6.665 -5.049 1.00 1.12 H ATOM 791 HG23 THR A 51 -11.780 -6.728 -3.418 1.00 1.14 H ATOM 792 N ASN A 52 -9.614 -6.131 -7.721 1.00 0.30 N ATOM 793 CA ASN A 52 -8.721 -4.985 -8.058 1.00 0.28 C ATOM 794 C ASN A 52 -9.038 -3.784 -7.152 1.00 0.26 C ATOM 795 O ASN A 52 -10.147 -3.623 -6.685 1.00 0.30 O ATOM 796 CB ASN A 52 -8.966 -4.583 -9.513 1.00 0.34 C ATOM 797 CG ASN A 52 -7.642 -4.198 -10.172 1.00 0.41 C ATOM 798 OD1 ASN A 52 -7.187 -3.081 -10.036 1.00 0.63 O ATOM 799 ND2 ASN A 52 -7.002 -5.082 -10.888 1.00 0.64 N ATOM 800 H ASN A 52 -10.321 -6.401 -8.351 1.00 0.34 H ATOM 801 HA ASN A 52 -7.689 -5.276 -7.931 1.00 0.27 H ATOM 802 HB2 ASN A 52 -9.407 -5.414 -10.045 1.00 0.36 H ATOM 803 HB3 ASN A 52 -9.640 -3.737 -9.541 1.00 0.38 H ATOM 804 HD21 ASN A 52 -7.370 -5.984 -10.998 1.00 0.90 H ATOM 805 HD22 ASN A 52 -6.153 -4.844 -11.313 1.00 0.70 H ATOM 806 N TYR A 53 -8.075 -2.923 -6.927 1.00 0.24 N ATOM 807 CA TYR A 53 -8.326 -1.714 -6.083 1.00 0.25 C ATOM 808 C TYR A 53 -7.597 -0.520 -6.697 1.00 0.24 C ATOM 809 O TYR A 53 -6.429 -0.589 -7.025 1.00 0.28 O ATOM 810 CB TYR A 53 -7.818 -1.909 -4.648 1.00 0.26 C ATOM 811 CG TYR A 53 -8.421 -3.148 -4.025 1.00 0.29 C ATOM 812 CD1 TYR A 53 -9.776 -3.163 -3.676 1.00 1.21 C ATOM 813 CD2 TYR A 53 -7.621 -4.272 -3.774 1.00 1.28 C ATOM 814 CE1 TYR A 53 -10.332 -4.301 -3.080 1.00 1.21 C ATOM 815 CE2 TYR A 53 -8.177 -5.407 -3.175 1.00 1.31 C ATOM 816 CZ TYR A 53 -9.532 -5.423 -2.828 1.00 0.39 C ATOM 817 OH TYR A 53 -10.079 -6.543 -2.236 1.00 0.46 O ATOM 818 H TYR A 53 -7.195 -3.059 -7.335 1.00 0.26 H ATOM 819 HA TYR A 53 -9.387 -1.502 -6.065 1.00 0.27 H ATOM 820 HB2 TYR A 53 -6.745 -1.996 -4.653 1.00 0.26 H ATOM 821 HB3 TYR A 53 -8.096 -1.049 -4.057 1.00 0.30 H ATOM 822 HD1 TYR A 53 -10.392 -2.299 -3.870 1.00 2.13 H ATOM 823 HD2 TYR A 53 -6.575 -4.262 -4.041 1.00 2.19 H ATOM 824 HE1 TYR A 53 -11.379 -4.312 -2.813 1.00 2.12 H ATOM 825 HE2 TYR A 53 -7.561 -6.273 -2.983 1.00 2.23 H ATOM 826 HH TYR A 53 -9.405 -6.946 -1.685 1.00 0.82 H ATOM 827 N TYR A 54 -8.283 0.573 -6.853 1.00 0.27 N ATOM 828 CA TYR A 54 -7.655 1.788 -7.442 1.00 0.28 C ATOM 829 C TYR A 54 -7.431 2.825 -6.336 1.00 0.27 C ATOM 830 O TYR A 54 -8.307 3.605 -6.028 1.00 0.34 O ATOM 831 CB TYR A 54 -8.607 2.360 -8.491 1.00 0.32 C ATOM 832 CG TYR A 54 -7.850 2.671 -9.760 1.00 0.41 C ATOM 833 CD1 TYR A 54 -7.037 1.693 -10.348 1.00 1.22 C ATOM 834 CD2 TYR A 54 -7.965 3.933 -10.352 1.00 1.33 C ATOM 835 CE1 TYR A 54 -6.338 1.981 -11.526 1.00 1.27 C ATOM 836 CE2 TYR A 54 -7.265 4.222 -11.530 1.00 1.40 C ATOM 837 CZ TYR A 54 -6.452 3.245 -12.118 1.00 0.70 C ATOM 838 OH TYR A 54 -5.763 3.528 -13.279 1.00 0.86 O ATOM 839 H TYR A 54 -9.223 0.595 -6.579 1.00 0.31 H ATOM 840 HA TYR A 54 -6.714 1.529 -7.903 1.00 0.28 H ATOM 841 HB2 TYR A 54 -9.382 1.634 -8.702 1.00 0.33 H ATOM 842 HB3 TYR A 54 -9.059 3.264 -8.110 1.00 0.36 H ATOM 843 HD1 TYR A 54 -6.949 0.719 -9.891 1.00 2.08 H ATOM 844 HD2 TYR A 54 -8.592 4.688 -9.899 1.00 2.19 H ATOM 845 HE1 TYR A 54 -5.710 1.227 -11.980 1.00 2.13 H ATOM 846 HE2 TYR A 54 -7.354 5.197 -11.987 1.00 2.28 H ATOM 847 HH TYR A 54 -5.738 2.731 -13.812 1.00 1.03 H ATOM 848 N ILE A 55 -6.277 2.840 -5.719 1.00 0.23 N ATOM 849 CA ILE A 55 -6.046 3.823 -4.626 1.00 0.24 C ATOM 850 C ILE A 55 -5.361 5.079 -5.156 1.00 0.26 C ATOM 851 O ILE A 55 -4.156 5.208 -5.112 1.00 0.25 O ATOM 852 CB ILE A 55 -5.165 3.184 -3.553 1.00 0.23 C ATOM 853 CG1 ILE A 55 -5.682 1.779 -3.227 1.00 0.48 C ATOM 854 CG2 ILE A 55 -5.190 4.042 -2.289 1.00 0.39 C ATOM 855 CD1 ILE A 55 -7.196 1.825 -3.016 1.00 0.45 C ATOM 856 H ILE A 55 -5.572 2.201 -5.958 1.00 0.22 H ATOM 857 HA ILE A 55 -6.994 4.104 -4.194 1.00 0.26 H ATOM 858 HB ILE A 55 -4.153 3.116 -3.920 1.00 0.31 H ATOM 859 HG12 ILE A 55 -5.452 1.112 -4.045 1.00 0.96 H ATOM 860 HG13 ILE A 55 -5.206 1.420 -2.326 1.00 1.10 H ATOM 861 HG21 ILE A 55 -5.831 4.896 -2.446 1.00 1.15 H ATOM 862 HG22 ILE A 55 -5.565 3.456 -1.463 1.00 1.11 H ATOM 863 HG23 ILE A 55 -4.188 4.380 -2.064 1.00 1.07 H ATOM 864 HD11 ILE A 55 -7.484 2.811 -2.684 1.00 1.19 H ATOM 865 HD12 ILE A 55 -7.695 1.600 -3.946 1.00 1.18 H ATOM 866 HD13 ILE A 55 -7.478 1.097 -2.271 1.00 1.15 H ATOM 867 N LYS A 56 -6.131 6.028 -5.604 1.00 0.31 N ATOM 868 CA LYS A 56 -5.547 7.300 -6.083 1.00 0.34 C ATOM 869 C LYS A 56 -5.229 8.117 -4.832 1.00 0.30 C ATOM 870 O LYS A 56 -6.125 8.542 -4.131 1.00 0.35 O ATOM 871 CB LYS A 56 -6.592 8.024 -6.923 1.00 0.41 C ATOM 872 CG LYS A 56 -5.978 9.275 -7.556 1.00 0.43 C ATOM 873 CD LYS A 56 -7.041 10.004 -8.382 1.00 0.65 C ATOM 874 CE LYS A 56 -6.497 11.358 -8.841 1.00 1.15 C ATOM 875 NZ LYS A 56 -6.063 11.264 -10.264 1.00 1.70 N ATOM 876 H LYS A 56 -7.102 5.921 -5.586 1.00 0.34 H ATOM 877 HA LYS A 56 -4.654 7.114 -6.669 1.00 0.35 H ATOM 878 HB2 LYS A 56 -6.946 7.358 -7.697 1.00 0.48 H ATOM 879 HB3 LYS A 56 -7.419 8.309 -6.290 1.00 0.41 H ATOM 880 HG2 LYS A 56 -5.614 9.929 -6.777 1.00 0.44 H ATOM 881 HG3 LYS A 56 -5.159 8.989 -8.197 1.00 0.50 H ATOM 882 HD2 LYS A 56 -7.297 9.407 -9.245 1.00 1.18 H ATOM 883 HD3 LYS A 56 -7.922 10.159 -7.778 1.00 1.10 H ATOM 884 HE2 LYS A 56 -7.271 12.106 -8.750 1.00 1.65 H ATOM 885 HE3 LYS A 56 -5.655 11.637 -8.224 1.00 1.73 H ATOM 886 HZ1 LYS A 56 -5.451 10.430 -10.384 1.00 2.05 H ATOM 887 HZ2 LYS A 56 -6.897 11.173 -10.877 1.00 2.09 H ATOM 888 HZ3 LYS A 56 -5.536 12.122 -10.524 1.00 2.24 H ATOM 889 N VAL A 57 -3.986 8.313 -4.503 1.00 0.26 N ATOM 890 CA VAL A 57 -3.703 9.072 -3.252 1.00 0.23 C ATOM 891 C VAL A 57 -3.620 10.574 -3.539 1.00 0.24 C ATOM 892 O VAL A 57 -3.200 11.009 -4.593 1.00 0.25 O ATOM 893 CB VAL A 57 -2.417 8.560 -2.561 1.00 0.22 C ATOM 894 CG1 VAL A 57 -1.583 7.721 -3.515 1.00 0.53 C ATOM 895 CG2 VAL A 57 -1.587 9.733 -2.048 1.00 0.43 C ATOM 896 H VAL A 57 -3.261 7.952 -5.050 1.00 0.27 H ATOM 897 HA VAL A 57 -4.527 8.910 -2.578 1.00 0.23 H ATOM 898 HB VAL A 57 -2.695 7.945 -1.727 1.00 0.30 H ATOM 899 HG11 VAL A 57 -1.531 8.210 -4.466 1.00 1.08 H ATOM 900 HG12 VAL A 57 -0.589 7.604 -3.111 1.00 1.28 H ATOM 901 HG13 VAL A 57 -2.042 6.750 -3.631 1.00 1.15 H ATOM 902 HG21 VAL A 57 -1.388 10.412 -2.863 1.00 0.97 H ATOM 903 HG22 VAL A 57 -2.140 10.249 -1.277 1.00 1.12 H ATOM 904 HG23 VAL A 57 -0.658 9.367 -1.643 1.00 1.20 H ATOM 905 N ARG A 58 -4.035 11.355 -2.583 1.00 0.23 N ATOM 906 CA ARG A 58 -4.021 12.836 -2.724 1.00 0.25 C ATOM 907 C ARG A 58 -2.751 13.410 -2.093 1.00 0.22 C ATOM 908 O ARG A 58 -2.343 12.999 -1.020 1.00 0.23 O ATOM 909 CB ARG A 58 -5.276 13.383 -2.003 1.00 0.29 C ATOM 910 CG ARG A 58 -4.931 14.377 -0.869 1.00 0.31 C ATOM 911 CD ARG A 58 -5.853 14.141 0.324 1.00 0.34 C ATOM 912 NE ARG A 58 -7.223 13.891 -0.183 1.00 0.39 N ATOM 913 CZ ARG A 58 -8.247 14.485 0.365 1.00 0.46 C ATOM 914 NH1 ARG A 58 -8.406 14.455 1.660 1.00 1.10 N ATOM 915 NH2 ARG A 58 -9.111 15.115 -0.383 1.00 1.16 N ATOM 916 H ARG A 58 -4.376 10.956 -1.758 1.00 0.23 H ATOM 917 HA ARG A 58 -4.060 13.104 -3.769 1.00 0.27 H ATOM 918 HB2 ARG A 58 -5.899 13.891 -2.718 1.00 0.34 H ATOM 919 HB3 ARG A 58 -5.820 12.546 -1.584 1.00 0.29 H ATOM 920 HG2 ARG A 58 -3.917 14.250 -0.552 1.00 0.27 H ATOM 921 HG3 ARG A 58 -5.068 15.380 -1.231 1.00 0.34 H ATOM 922 HD2 ARG A 58 -5.510 13.287 0.884 1.00 0.32 H ATOM 923 HD3 ARG A 58 -5.854 15.010 0.965 1.00 0.38 H ATOM 924 HE ARG A 58 -7.352 13.289 -0.943 1.00 0.38 H ATOM 925 HH11 ARG A 58 -7.744 13.974 2.234 1.00 1.83 H ATOM 926 HH12 ARG A 58 -9.191 14.912 2.078 1.00 1.11 H ATOM 927 HH21 ARG A 58 -8.987 15.138 -1.376 1.00 1.88 H ATOM 928 HH22 ARG A 58 -9.895 15.573 0.034 1.00 1.21 H ATOM 929 N ALA A 59 -2.158 14.397 -2.706 1.00 0.23 N ATOM 930 CA ALA A 59 -0.967 15.014 -2.090 1.00 0.25 C ATOM 931 C ALA A 59 -1.131 16.527 -2.149 1.00 0.27 C ATOM 932 O ALA A 59 -0.177 17.261 -2.153 1.00 0.32 O ATOM 933 CB ALA A 59 0.288 14.592 -2.843 1.00 0.29 C ATOM 934 H ALA A 59 -2.516 14.757 -3.551 1.00 0.25 H ATOM 935 HA ALA A 59 -0.894 14.705 -1.056 1.00 0.27 H ATOM 936 HB1 ALA A 59 0.011 14.127 -3.777 1.00 0.97 H ATOM 937 HB2 ALA A 59 0.895 15.454 -3.039 1.00 0.97 H ATOM 938 HB3 ALA A 59 0.844 13.895 -2.241 1.00 1.02 H ATOM 939 N GLY A 60 -2.342 17.002 -2.182 1.00 0.28 N ATOM 940 CA GLY A 60 -2.546 18.476 -2.226 1.00 0.33 C ATOM 941 C GLY A 60 -3.106 18.869 -3.593 1.00 0.38 C ATOM 942 O GLY A 60 -3.312 18.034 -4.451 1.00 0.44 O ATOM 943 H GLY A 60 -3.120 16.390 -2.164 1.00 0.28 H ATOM 944 HA2 GLY A 60 -3.235 18.769 -1.447 1.00 0.38 H ATOM 945 HA3 GLY A 60 -1.601 18.972 -2.070 1.00 0.33 H ATOM 946 N ASP A 61 -3.352 20.130 -3.807 1.00 0.42 N ATOM 947 CA ASP A 61 -3.892 20.563 -5.125 1.00 0.49 C ATOM 948 C ASP A 61 -2.749 20.645 -6.139 1.00 0.49 C ATOM 949 O ASP A 61 -2.968 20.837 -7.319 1.00 0.61 O ATOM 950 CB ASP A 61 -4.554 21.935 -4.983 1.00 0.57 C ATOM 951 CG ASP A 61 -5.561 22.134 -6.117 1.00 0.81 C ATOM 952 OD1 ASP A 61 -6.214 21.169 -6.480 1.00 1.40 O ATOM 953 OD2 ASP A 61 -5.664 23.248 -6.604 1.00 1.41 O ATOM 954 H ASP A 61 -3.176 20.792 -3.107 1.00 0.45 H ATOM 955 HA ASP A 61 -4.624 19.845 -5.464 1.00 0.51 H ATOM 956 HB2 ASP A 61 -5.066 21.991 -4.031 1.00 0.66 H ATOM 957 HB3 ASP A 61 -3.801 22.707 -5.033 1.00 0.58 H ATOM 958 N ASN A 62 -1.531 20.497 -5.690 1.00 0.44 N ATOM 959 CA ASN A 62 -0.378 20.562 -6.625 1.00 0.47 C ATOM 960 C ASN A 62 0.320 19.200 -6.683 1.00 0.41 C ATOM 961 O ASN A 62 0.738 18.753 -7.733 1.00 0.45 O ATOM 962 CB ASN A 62 0.615 21.634 -6.158 1.00 0.56 C ATOM 963 CG ASN A 62 0.511 21.820 -4.643 1.00 0.76 C ATOM 964 OD1 ASN A 62 -0.475 22.330 -4.148 1.00 1.74 O ATOM 965 ND2 ASN A 62 1.494 21.426 -3.882 1.00 0.69 N ATOM 966 H ASN A 62 -1.375 20.343 -4.744 1.00 0.46 H ATOM 967 HA ASN A 62 -0.740 20.815 -7.602 1.00 0.52 H ATOM 968 HB2 ASN A 62 1.619 21.328 -6.414 1.00 0.69 H ATOM 969 HB3 ASN A 62 0.389 22.569 -6.648 1.00 0.66 H ATOM 970 HD21 ASN A 62 2.288 21.016 -4.282 1.00 1.37 H ATOM 971 HD22 ASN A 62 1.438 21.542 -2.911 1.00 0.67 H ATOM 972 N LYS A 63 0.443 18.531 -5.568 1.00 0.36 N ATOM 973 CA LYS A 63 1.106 17.195 -5.573 1.00 0.34 C ATOM 974 C LYS A 63 0.021 16.110 -5.610 1.00 0.31 C ATOM 975 O LYS A 63 -1.120 16.343 -5.247 1.00 0.34 O ATOM 976 CB LYS A 63 1.970 17.045 -4.322 1.00 0.42 C ATOM 977 CG LYS A 63 3.012 18.157 -4.275 1.00 0.52 C ATOM 978 CD LYS A 63 3.076 18.700 -2.850 1.00 0.84 C ATOM 979 CE LYS A 63 4.469 19.272 -2.577 1.00 1.11 C ATOM 980 NZ LYS A 63 4.476 20.730 -2.883 1.00 1.67 N ATOM 981 H LYS A 63 0.092 18.903 -4.733 1.00 0.37 H ATOM 982 HA LYS A 63 1.728 17.108 -6.450 1.00 0.35 H ATOM 983 HB2 LYS A 63 1.349 17.112 -3.450 1.00 0.45 H ATOM 984 HB3 LYS A 63 2.469 16.090 -4.339 1.00 0.46 H ATOM 985 HG2 LYS A 63 3.977 17.764 -4.560 1.00 0.55 H ATOM 986 HG3 LYS A 63 2.728 18.950 -4.950 1.00 0.73 H ATOM 987 HD2 LYS A 63 2.333 19.476 -2.729 1.00 1.11 H ATOM 988 HD3 LYS A 63 2.872 17.899 -2.153 1.00 0.97 H ATOM 989 HE2 LYS A 63 4.723 19.121 -1.539 1.00 1.50 H ATOM 990 HE3 LYS A 63 5.193 18.769 -3.202 1.00 1.70 H ATOM 991 HZ1 LYS A 63 4.105 20.885 -3.842 1.00 2.15 H ATOM 992 HZ2 LYS A 63 3.880 21.230 -2.194 1.00 2.21 H ATOM 993 HZ3 LYS A 63 5.449 21.091 -2.828 1.00 2.04 H ATOM 994 N TYR A 64 0.345 14.929 -6.061 1.00 0.31 N ATOM 995 CA TYR A 64 -0.696 13.878 -6.144 1.00 0.36 C ATOM 996 C TYR A 64 -0.027 12.529 -6.357 1.00 0.37 C ATOM 997 O TYR A 64 0.895 12.401 -7.138 1.00 0.53 O ATOM 998 CB TYR A 64 -1.595 14.181 -7.346 1.00 0.42 C ATOM 999 CG TYR A 64 -3.028 14.352 -6.901 1.00 0.50 C ATOM 1000 CD1 TYR A 64 -3.483 15.605 -6.474 1.00 1.41 C ATOM 1001 CD2 TYR A 64 -3.903 13.260 -6.927 1.00 1.34 C ATOM 1002 CE1 TYR A 64 -4.814 15.766 -6.071 1.00 1.69 C ATOM 1003 CE2 TYR A 64 -5.234 13.421 -6.524 1.00 1.50 C ATOM 1004 CZ TYR A 64 -5.690 14.675 -6.097 1.00 1.25 C ATOM 1005 OH TYR A 64 -7.003 14.836 -5.702 1.00 1.66 O ATOM 1006 H TYR A 64 1.263 14.735 -6.354 1.00 0.32 H ATOM 1007 HA TYR A 64 -1.283 13.863 -5.239 1.00 0.41 H ATOM 1008 HB2 TYR A 64 -1.259 15.093 -7.821 1.00 0.64 H ATOM 1009 HB3 TYR A 64 -1.533 13.369 -8.054 1.00 0.62 H ATOM 1010 HD1 TYR A 64 -2.810 16.447 -6.455 1.00 2.21 H ATOM 1011 HD2 TYR A 64 -3.552 12.292 -7.255 1.00 2.19 H ATOM 1012 HE1 TYR A 64 -5.165 16.732 -5.743 1.00 2.59 H ATOM 1013 HE2 TYR A 64 -5.909 12.579 -6.544 1.00 2.31 H ATOM 1014 HH TYR A 64 -7.373 15.570 -6.196 1.00 1.87 H ATOM 1015 N LEU A 65 -0.482 11.518 -5.685 1.00 0.26 N ATOM 1016 CA LEU A 65 0.137 10.187 -5.877 1.00 0.26 C ATOM 1017 C LEU A 65 -0.908 9.213 -6.378 1.00 0.27 C ATOM 1018 O LEU A 65 -2.042 9.575 -6.620 1.00 0.28 O ATOM 1019 CB LEU A 65 0.724 9.691 -4.561 1.00 0.26 C ATOM 1020 CG LEU A 65 1.641 10.785 -3.988 1.00 0.30 C ATOM 1021 CD1 LEU A 65 0.841 11.682 -3.051 1.00 0.44 C ATOM 1022 CD2 LEU A 65 2.784 10.165 -3.182 1.00 0.24 C ATOM 1023 H LEU A 65 -1.233 11.631 -5.065 1.00 0.29 H ATOM 1024 HA LEU A 65 0.918 10.264 -6.611 1.00 0.29 H ATOM 1025 HB2 LEU A 65 -0.082 9.473 -3.858 1.00 0.25 H ATOM 1026 HB3 LEU A 65 1.294 8.791 -4.753 1.00 0.29 H ATOM 1027 HG LEU A 65 2.045 11.387 -4.803 1.00 0.39 H ATOM 1028 HD11 LEU A 65 0.278 11.073 -2.363 1.00 1.16 H ATOM 1029 HD12 LEU A 65 1.523 12.307 -2.499 1.00 1.12 H ATOM 1030 HD13 LEU A 65 0.167 12.297 -3.625 1.00 1.11 H ATOM 1031 HD21 LEU A 65 3.029 9.193 -3.577 1.00 1.04 H ATOM 1032 HD22 LEU A 65 3.650 10.806 -3.238 1.00 1.01 H ATOM 1033 HD23 LEU A 65 2.482 10.069 -2.147 1.00 1.01 H ATOM 1034 N HIS A 66 -0.549 7.977 -6.550 1.00 0.27 N ATOM 1035 CA HIS A 66 -1.550 7.022 -7.051 1.00 0.27 C ATOM 1036 C HIS A 66 -1.108 5.582 -6.800 1.00 0.26 C ATOM 1037 O HIS A 66 0.062 5.277 -6.691 1.00 0.28 O ATOM 1038 CB HIS A 66 -1.718 7.260 -8.539 1.00 0.33 C ATOM 1039 CG HIS A 66 -3.047 6.736 -8.962 1.00 0.34 C ATOM 1040 ND1 HIS A 66 -4.040 7.565 -9.436 1.00 0.36 N ATOM 1041 CD2 HIS A 66 -3.574 5.477 -8.954 1.00 0.35 C ATOM 1042 CE1 HIS A 66 -5.108 6.801 -9.687 1.00 0.38 C ATOM 1043 NE2 HIS A 66 -4.882 5.515 -9.415 1.00 0.37 N ATOM 1044 H HIS A 66 0.366 7.685 -6.363 1.00 0.27 H ATOM 1045 HA HIS A 66 -2.492 7.198 -6.558 1.00 0.27 H ATOM 1046 HB2 HIS A 66 -1.662 8.319 -8.745 1.00 0.35 H ATOM 1047 HB3 HIS A 66 -0.942 6.750 -9.068 1.00 0.35 H ATOM 1048 HD1 HIS A 66 -3.973 8.533 -9.570 1.00 0.37 H ATOM 1049 HD2 HIS A 66 -3.058 4.596 -8.614 1.00 0.34 H ATOM 1050 HE1 HIS A 66 -6.040 7.184 -10.037 1.00 0.40 H ATOM 1051 N LEU A 67 -2.061 4.699 -6.703 1.00 0.25 N ATOM 1052 CA LEU A 67 -1.764 3.267 -6.450 1.00 0.26 C ATOM 1053 C LEU A 67 -2.932 2.427 -6.930 1.00 0.26 C ATOM 1054 O LEU A 67 -4.032 2.904 -7.121 1.00 0.26 O ATOM 1055 CB LEU A 67 -1.628 3.049 -4.947 1.00 0.24 C ATOM 1056 CG LEU A 67 -1.625 1.547 -4.627 1.00 0.29 C ATOM 1057 CD1 LEU A 67 -0.333 0.914 -5.126 1.00 0.37 C ATOM 1058 CD2 LEU A 67 -1.720 1.364 -3.115 1.00 0.33 C ATOM 1059 H LEU A 67 -2.990 4.987 -6.789 1.00 0.26 H ATOM 1060 HA LEU A 67 -0.851 2.958 -6.951 1.00 0.30 H ATOM 1061 HB2 LEU A 67 -0.710 3.497 -4.596 1.00 0.26 H ATOM 1062 HB3 LEU A 67 -2.470 3.510 -4.453 1.00 0.22 H ATOM 1063 HG LEU A 67 -2.469 1.061 -5.109 1.00 0.27 H ATOM 1064 HD11 LEU A 67 0.200 1.625 -5.736 1.00 1.07 H ATOM 1065 HD12 LEU A 67 0.275 0.631 -4.283 1.00 1.07 H ATOM 1066 HD13 LEU A 67 -0.569 0.037 -5.714 1.00 1.00 H ATOM 1067 HD21 LEU A 67 -1.002 2.012 -2.631 1.00 1.09 H ATOM 1068 HD22 LEU A 67 -2.715 1.619 -2.784 1.00 1.00 H ATOM 1069 HD23 LEU A 67 -1.506 0.337 -2.863 1.00 1.08 H ATOM 1070 N LYS A 68 -2.696 1.170 -7.067 1.00 0.29 N ATOM 1071 CA LYS A 68 -3.738 0.233 -7.455 1.00 0.29 C ATOM 1072 C LYS A 68 -3.521 -0.979 -6.609 1.00 0.27 C ATOM 1073 O LYS A 68 -2.653 -1.779 -6.915 1.00 0.30 O ATOM 1074 CB LYS A 68 -3.509 -0.189 -8.862 1.00 0.34 C ATOM 1075 CG LYS A 68 -4.759 -0.844 -9.432 1.00 0.34 C ATOM 1076 CD LYS A 68 -4.761 -2.318 -9.016 1.00 0.31 C ATOM 1077 CE LYS A 68 -4.426 -3.231 -10.203 1.00 0.37 C ATOM 1078 NZ LYS A 68 -4.953 -2.646 -11.470 1.00 0.45 N ATOM 1079 H LYS A 68 -1.812 0.819 -6.872 1.00 0.33 H ATOM 1080 HA LYS A 68 -4.719 0.648 -7.316 1.00 0.29 H ATOM 1081 HB2 LYS A 68 -3.231 0.662 -9.438 1.00 0.38 H ATOM 1082 HB3 LYS A 68 -2.711 -0.910 -8.848 1.00 0.35 H ATOM 1083 HG2 LYS A 68 -5.636 -0.350 -9.038 1.00 0.33 H ATOM 1084 HG3 LYS A 68 -4.750 -0.766 -10.506 1.00 0.40 H ATOM 1085 HD2 LYS A 68 -4.020 -2.465 -8.249 1.00 0.30 H ATOM 1086 HD3 LYS A 68 -5.729 -2.573 -8.623 1.00 0.31 H ATOM 1087 HE2 LYS A 68 -3.350 -3.347 -10.275 1.00 0.41 H ATOM 1088 HE3 LYS A 68 -4.876 -4.201 -10.043 1.00 0.38 H ATOM 1089 HZ1 LYS A 68 -5.817 -2.102 -11.267 1.00 0.99 H ATOM 1090 HZ2 LYS A 68 -4.239 -2.017 -11.885 1.00 1.11 H ATOM 1091 HZ3 LYS A 68 -5.171 -3.408 -12.142 1.00 1.05 H ATOM 1092 N VAL A 69 -4.240 -1.143 -5.555 1.00 0.25 N ATOM 1093 CA VAL A 69 -3.980 -2.334 -4.748 1.00 0.25 C ATOM 1094 C VAL A 69 -4.716 -3.511 -5.377 1.00 0.24 C ATOM 1095 O VAL A 69 -5.853 -3.397 -5.780 1.00 0.23 O ATOM 1096 CB VAL A 69 -4.437 -2.113 -3.305 1.00 0.26 C ATOM 1097 CG1 VAL A 69 -4.264 -3.406 -2.508 1.00 0.38 C ATOM 1098 CG2 VAL A 69 -3.592 -1.005 -2.671 1.00 0.38 C ATOM 1099 H VAL A 69 -4.926 -0.491 -5.298 1.00 0.24 H ATOM 1100 HA VAL A 69 -2.921 -2.515 -4.780 1.00 0.28 H ATOM 1101 HB VAL A 69 -5.477 -1.822 -3.298 1.00 0.31 H ATOM 1102 HG11 VAL A 69 -3.387 -3.930 -2.857 1.00 0.98 H ATOM 1103 HG12 VAL A 69 -4.148 -3.169 -1.460 1.00 1.05 H ATOM 1104 HG13 VAL A 69 -5.134 -4.031 -2.642 1.00 1.17 H ATOM 1105 HG21 VAL A 69 -3.482 -0.191 -3.371 1.00 1.14 H ATOM 1106 HG22 VAL A 69 -4.081 -0.648 -1.776 1.00 0.95 H ATOM 1107 HG23 VAL A 69 -2.618 -1.397 -2.417 1.00 1.06 H ATOM 1108 N PHE A 70 -4.077 -4.632 -5.511 1.00 0.26 N ATOM 1109 CA PHE A 70 -4.774 -5.769 -6.157 1.00 0.26 C ATOM 1110 C PHE A 70 -4.455 -7.079 -5.443 1.00 0.29 C ATOM 1111 O PHE A 70 -3.318 -7.480 -5.346 1.00 0.38 O ATOM 1112 CB PHE A 70 -4.313 -5.852 -7.609 1.00 0.31 C ATOM 1113 CG PHE A 70 -4.913 -7.077 -8.255 1.00 0.31 C ATOM 1114 CD1 PHE A 70 -6.130 -7.590 -7.791 1.00 1.20 C ATOM 1115 CD2 PHE A 70 -4.252 -7.698 -9.319 1.00 1.26 C ATOM 1116 CE1 PHE A 70 -6.685 -8.725 -8.393 1.00 1.20 C ATOM 1117 CE2 PHE A 70 -4.806 -8.834 -9.920 1.00 1.27 C ATOM 1118 CZ PHE A 70 -6.023 -9.347 -9.458 1.00 0.34 C ATOM 1119 H PHE A 70 -3.141 -4.717 -5.221 1.00 0.30 H ATOM 1120 HA PHE A 70 -5.841 -5.599 -6.133 1.00 0.24 H ATOM 1121 HB2 PHE A 70 -4.633 -4.965 -8.139 1.00 0.33 H ATOM 1122 HB3 PHE A 70 -3.235 -5.917 -7.640 1.00 0.35 H ATOM 1123 HD1 PHE A 70 -6.639 -7.109 -6.967 1.00 2.10 H ATOM 1124 HD2 PHE A 70 -3.316 -7.302 -9.674 1.00 2.15 H ATOM 1125 HE1 PHE A 70 -7.624 -9.121 -8.034 1.00 2.09 H ATOM 1126 HE2 PHE A 70 -4.293 -9.313 -10.741 1.00 2.17 H ATOM 1127 HZ PHE A 70 -6.451 -10.223 -9.922 1.00 0.37 H ATOM 1128 N LYS A 71 -5.456 -7.765 -4.964 1.00 0.28 N ATOM 1129 CA LYS A 71 -5.203 -9.066 -4.282 1.00 0.32 C ATOM 1130 C LYS A 71 -5.246 -10.169 -5.337 1.00 0.30 C ATOM 1131 O LYS A 71 -6.144 -10.986 -5.373 1.00 0.33 O ATOM 1132 CB LYS A 71 -6.278 -9.313 -3.221 1.00 0.36 C ATOM 1133 CG LYS A 71 -5.889 -8.598 -1.926 1.00 0.65 C ATOM 1134 CD LYS A 71 -6.735 -9.135 -0.770 1.00 1.27 C ATOM 1135 CE LYS A 71 -5.889 -9.182 0.504 1.00 1.76 C ATOM 1136 NZ LYS A 71 -6.571 -10.030 1.521 1.00 2.16 N ATOM 1137 H LYS A 71 -6.374 -7.435 -5.071 1.00 0.31 H ATOM 1138 HA LYS A 71 -4.228 -9.048 -3.818 1.00 0.36 H ATOM 1139 HB2 LYS A 71 -7.227 -8.934 -3.573 1.00 0.46 H ATOM 1140 HB3 LYS A 71 -6.362 -10.374 -3.034 1.00 0.42 H ATOM 1141 HG2 LYS A 71 -4.843 -8.772 -1.720 1.00 1.01 H ATOM 1142 HG3 LYS A 71 -6.063 -7.539 -2.035 1.00 1.21 H ATOM 1143 HD2 LYS A 71 -7.584 -8.485 -0.615 1.00 1.79 H ATOM 1144 HD3 LYS A 71 -7.080 -10.130 -1.008 1.00 1.80 H ATOM 1145 HE2 LYS A 71 -4.919 -9.599 0.278 1.00 2.25 H ATOM 1146 HE3 LYS A 71 -5.768 -8.181 0.893 1.00 2.26 H ATOM 1147 HZ1 LYS A 71 -7.523 -9.656 1.703 1.00 2.53 H ATOM 1148 HZ2 LYS A 71 -6.646 -11.005 1.166 1.00 2.61 H ATOM 1149 HZ3 LYS A 71 -6.021 -10.023 2.404 1.00 2.46 H ATOM 1150 N SER A 72 -4.282 -10.169 -6.213 1.00 0.31 N ATOM 1151 CA SER A 72 -4.241 -11.181 -7.303 1.00 0.33 C ATOM 1152 C SER A 72 -4.655 -12.562 -6.793 1.00 0.33 C ATOM 1153 O SER A 72 -4.181 -13.043 -5.782 1.00 0.38 O ATOM 1154 CB SER A 72 -2.822 -11.260 -7.866 1.00 0.41 C ATOM 1155 OG SER A 72 -2.658 -10.264 -8.868 1.00 0.73 O ATOM 1156 H SER A 72 -3.584 -9.482 -6.166 1.00 0.32 H ATOM 1157 HA SER A 72 -4.917 -10.879 -8.089 1.00 0.33 H ATOM 1158 HB2 SER A 72 -2.109 -11.089 -7.077 1.00 0.80 H ATOM 1159 HB3 SER A 72 -2.658 -12.242 -8.289 1.00 0.68 H ATOM 1160 HG SER A 72 -2.167 -10.654 -9.594 1.00 0.91 H ATOM 1161 N LEU A 73 -5.534 -13.200 -7.512 1.00 0.35 N ATOM 1162 CA LEU A 73 -6.005 -14.556 -7.134 1.00 0.38 C ATOM 1163 C LEU A 73 -7.011 -15.017 -8.199 1.00 0.41 C ATOM 1164 O LEU A 73 -8.165 -15.245 -7.910 1.00 0.44 O ATOM 1165 CB LEU A 73 -6.659 -14.491 -5.754 1.00 0.41 C ATOM 1166 CG LEU A 73 -7.471 -15.756 -5.504 1.00 0.46 C ATOM 1167 CD1 LEU A 73 -7.096 -16.350 -4.145 1.00 0.52 C ATOM 1168 CD2 LEU A 73 -8.952 -15.394 -5.514 1.00 0.49 C ATOM 1169 H LEU A 73 -5.886 -12.783 -8.323 1.00 0.38 H ATOM 1170 HA LEU A 73 -5.173 -15.239 -7.106 1.00 0.41 H ATOM 1171 HB2 LEU A 73 -5.893 -14.402 -4.997 1.00 0.43 H ATOM 1172 HB3 LEU A 73 -7.312 -13.632 -5.705 1.00 0.40 H ATOM 1173 HG LEU A 73 -7.268 -16.475 -6.282 1.00 0.46 H ATOM 1174 HD11 LEU A 73 -6.355 -15.723 -3.670 1.00 1.15 H ATOM 1175 HD12 LEU A 73 -7.974 -16.406 -3.521 1.00 1.23 H ATOM 1176 HD13 LEU A 73 -6.691 -17.342 -4.286 1.00 1.06 H ATOM 1177 HD21 LEU A 73 -9.066 -14.374 -5.853 1.00 1.31 H ATOM 1178 HD22 LEU A 73 -9.477 -16.056 -6.184 1.00 0.97 H ATOM 1179 HD23 LEU A 73 -9.353 -15.490 -4.518 1.00 1.08 H ATOM 1180 N PRO A 74 -6.538 -15.102 -9.423 1.00 0.44 N ATOM 1181 CA PRO A 74 -7.371 -15.495 -10.574 1.00 0.49 C ATOM 1182 C PRO A 74 -7.525 -17.021 -10.644 1.00 0.55 C ATOM 1183 O PRO A 74 -7.325 -17.625 -11.679 1.00 0.60 O ATOM 1184 CB PRO A 74 -6.579 -14.976 -11.779 1.00 0.52 C ATOM 1185 CG PRO A 74 -5.106 -14.857 -11.315 1.00 0.52 C ATOM 1186 CD PRO A 74 -5.129 -14.809 -9.777 1.00 0.45 C ATOM 1187 HA PRO A 74 -8.335 -15.014 -10.531 1.00 0.49 H ATOM 1188 HB2 PRO A 74 -6.660 -15.669 -12.602 1.00 0.58 H ATOM 1189 HB3 PRO A 74 -6.943 -14.005 -12.075 1.00 0.52 H ATOM 1190 HG2 PRO A 74 -4.543 -15.715 -11.654 1.00 0.57 H ATOM 1191 HG3 PRO A 74 -4.670 -13.949 -11.701 1.00 0.53 H ATOM 1192 HD2 PRO A 74 -4.468 -15.561 -9.366 1.00 0.48 H ATOM 1193 HD3 PRO A 74 -4.851 -13.829 -9.432 1.00 0.42 H ATOM 1194 N GLY A 75 -7.882 -17.649 -9.556 1.00 0.56 N ATOM 1195 CA GLY A 75 -8.048 -19.131 -9.575 1.00 0.63 C ATOM 1196 C GLY A 75 -6.710 -19.802 -9.263 1.00 0.66 C ATOM 1197 O GLY A 75 -6.628 -20.691 -8.438 1.00 0.77 O ATOM 1198 H GLY A 75 -8.043 -17.149 -8.732 1.00 0.53 H ATOM 1199 HA2 GLY A 75 -8.779 -19.420 -8.833 1.00 0.65 H ATOM 1200 HA3 GLY A 75 -8.385 -19.443 -10.552 1.00 0.67 H ATOM 1201 N GLN A 76 -5.661 -19.387 -9.918 1.00 0.63 N ATOM 1202 CA GLN A 76 -4.331 -20.006 -9.656 1.00 0.68 C ATOM 1203 C GLN A 76 -3.788 -19.505 -8.316 1.00 0.61 C ATOM 1204 O GLN A 76 -2.896 -20.095 -7.740 1.00 0.67 O ATOM 1205 CB GLN A 76 -3.361 -19.625 -10.777 1.00 0.75 C ATOM 1206 CG GLN A 76 -2.221 -20.645 -10.832 1.00 0.97 C ATOM 1207 CD GLN A 76 -2.784 -22.022 -11.191 1.00 1.50 C ATOM 1208 OE1 GLN A 76 -2.942 -22.868 -10.334 1.00 2.17 O ATOM 1209 NE2 GLN A 76 -3.093 -22.285 -12.432 1.00 2.18 N ATOM 1210 H GLN A 76 -5.748 -18.669 -10.581 1.00 0.64 H ATOM 1211 HA GLN A 76 -4.437 -21.080 -9.624 1.00 0.77 H ATOM 1212 HB2 GLN A 76 -3.886 -19.619 -11.721 1.00 0.86 H ATOM 1213 HB3 GLN A 76 -2.955 -18.643 -10.584 1.00 0.76 H ATOM 1214 HG2 GLN A 76 -1.503 -20.341 -11.580 1.00 1.41 H ATOM 1215 HG3 GLN A 76 -1.738 -20.697 -9.868 1.00 1.33 H ATOM 1216 HE21 GLN A 76 -2.965 -21.604 -13.125 1.00 2.50 H ATOM 1217 HE22 GLN A 76 -3.453 -23.165 -12.671 1.00 2.76 H ATOM 1218 N ASN A 77 -4.317 -18.423 -7.813 1.00 0.58 N ATOM 1219 CA ASN A 77 -3.826 -17.891 -6.509 1.00 0.58 C ATOM 1220 C ASN A 77 -2.319 -17.635 -6.602 1.00 0.60 C ATOM 1221 O ASN A 77 -1.514 -18.517 -6.376 1.00 0.70 O ATOM 1222 CB ASN A 77 -4.104 -18.916 -5.407 1.00 0.68 C ATOM 1223 CG ASN A 77 -3.554 -18.402 -4.075 1.00 0.78 C ATOM 1224 OD1 ASN A 77 -2.923 -19.136 -3.341 1.00 0.99 O ATOM 1225 ND2 ASN A 77 -3.769 -17.161 -3.729 1.00 0.82 N ATOM 1226 H ASN A 77 -5.036 -17.960 -8.291 1.00 0.61 H ATOM 1227 HA ASN A 77 -4.336 -16.965 -6.280 1.00 0.57 H ATOM 1228 HB2 ASN A 77 -5.169 -19.071 -5.321 1.00 0.72 H ATOM 1229 HB3 ASN A 77 -3.623 -19.851 -5.655 1.00 0.72 H ATOM 1230 HD21 ASN A 77 -4.279 -16.569 -4.318 1.00 0.89 H ATOM 1231 HD22 ASN A 77 -3.420 -16.825 -2.878 1.00 0.92 H ATOM 1232 N GLU A 78 -1.933 -16.436 -6.939 1.00 0.64 N ATOM 1233 CA GLU A 78 -0.482 -16.122 -7.053 1.00 0.74 C ATOM 1234 C GLU A 78 -0.183 -14.822 -6.304 1.00 0.68 C ATOM 1235 O GLU A 78 -0.053 -13.768 -6.895 1.00 0.72 O ATOM 1236 CB GLU A 78 -0.115 -15.955 -8.530 1.00 0.90 C ATOM 1237 CG GLU A 78 -0.184 -17.314 -9.232 1.00 1.23 C ATOM 1238 CD GLU A 78 0.212 -17.149 -10.700 1.00 1.86 C ATOM 1239 OE1 GLU A 78 -0.624 -16.714 -11.474 1.00 2.43 O ATOM 1240 OE2 GLU A 78 1.347 -17.460 -11.025 1.00 2.45 O ATOM 1241 H GLU A 78 -2.599 -15.740 -7.119 1.00 0.67 H ATOM 1242 HA GLU A 78 0.097 -16.926 -6.626 1.00 0.84 H ATOM 1243 HB2 GLU A 78 -0.809 -15.273 -8.998 1.00 0.99 H ATOM 1244 HB3 GLU A 78 0.887 -15.562 -8.610 1.00 1.01 H ATOM 1245 HG2 GLU A 78 0.494 -18.003 -8.749 1.00 1.58 H ATOM 1246 HG3 GLU A 78 -1.192 -17.698 -9.174 1.00 1.42 H ATOM 1247 N ASP A 79 -0.075 -14.885 -5.005 1.00 0.68 N ATOM 1248 CA ASP A 79 0.213 -13.653 -4.218 1.00 0.70 C ATOM 1249 C ASP A 79 -0.687 -12.515 -4.708 1.00 0.63 C ATOM 1250 O ASP A 79 -1.639 -12.732 -5.428 1.00 0.71 O ATOM 1251 CB ASP A 79 1.681 -13.258 -4.403 1.00 0.77 C ATOM 1252 CG ASP A 79 2.329 -13.041 -3.035 1.00 0.90 C ATOM 1253 OD1 ASP A 79 1.871 -13.645 -2.080 1.00 1.52 O ATOM 1254 OD2 ASP A 79 3.275 -12.273 -2.965 1.00 1.36 O ATOM 1255 H ASP A 79 -0.188 -15.745 -4.547 1.00 0.72 H ATOM 1256 HA ASP A 79 0.019 -13.840 -3.172 1.00 0.77 H ATOM 1257 HB2 ASP A 79 2.201 -14.046 -4.929 1.00 0.79 H ATOM 1258 HB3 ASP A 79 1.738 -12.345 -4.975 1.00 0.80 H ATOM 1259 N LEU A 80 -0.392 -11.304 -4.322 1.00 0.53 N ATOM 1260 CA LEU A 80 -1.233 -10.158 -4.767 1.00 0.46 C ATOM 1261 C LEU A 80 -0.563 -9.431 -5.923 1.00 0.47 C ATOM 1262 O LEU A 80 0.090 -10.028 -6.756 1.00 0.51 O ATOM 1263 CB LEU A 80 -1.467 -9.200 -3.600 1.00 0.46 C ATOM 1264 CG LEU A 80 -0.176 -8.468 -3.263 1.00 0.50 C ATOM 1265 CD1 LEU A 80 -0.502 -7.023 -2.889 1.00 0.80 C ATOM 1266 CD2 LEU A 80 0.489 -9.176 -2.090 1.00 0.86 C ATOM 1267 H LEU A 80 0.381 -11.147 -3.740 1.00 0.55 H ATOM 1268 HA LEU A 80 -2.179 -10.516 -5.109 1.00 0.43 H ATOM 1269 HB2 LEU A 80 -2.226 -8.483 -3.871 1.00 0.42 H ATOM 1270 HB3 LEU A 80 -1.793 -9.761 -2.736 1.00 0.48 H ATOM 1271 HG LEU A 80 0.486 -8.479 -4.115 1.00 0.74 H ATOM 1272 HD11 LEU A 80 -1.155 -6.596 -3.638 1.00 1.21 H ATOM 1273 HD12 LEU A 80 -0.995 -7.001 -1.928 1.00 1.41 H ATOM 1274 HD13 LEU A 80 0.411 -6.448 -2.839 1.00 1.50 H ATOM 1275 HD21 LEU A 80 -0.177 -9.939 -1.712 1.00 1.34 H ATOM 1276 HD22 LEU A 80 1.407 -9.635 -2.423 1.00 1.42 H ATOM 1277 HD23 LEU A 80 0.699 -8.462 -1.310 1.00 1.47 H ATOM 1278 N VAL A 81 -0.752 -8.152 -5.995 1.00 0.44 N ATOM 1279 CA VAL A 81 -0.167 -7.376 -7.111 1.00 0.46 C ATOM 1280 C VAL A 81 -0.571 -5.910 -6.944 1.00 0.42 C ATOM 1281 O VAL A 81 -1.522 -5.593 -6.259 1.00 0.38 O ATOM 1282 CB VAL A 81 -0.719 -7.966 -8.418 1.00 0.47 C ATOM 1283 CG1 VAL A 81 -1.068 -6.860 -9.422 1.00 0.47 C ATOM 1284 CG2 VAL A 81 0.332 -8.887 -9.041 1.00 0.54 C ATOM 1285 H VAL A 81 -1.301 -7.706 -5.327 1.00 0.41 H ATOM 1286 HA VAL A 81 0.907 -7.459 -7.098 1.00 0.52 H ATOM 1287 HB VAL A 81 -1.610 -8.542 -8.183 1.00 0.43 H ATOM 1288 HG11 VAL A 81 -1.771 -6.174 -8.972 1.00 1.16 H ATOM 1289 HG12 VAL A 81 -0.171 -6.327 -9.697 1.00 1.14 H ATOM 1290 HG13 VAL A 81 -1.510 -7.301 -10.302 1.00 1.04 H ATOM 1291 HG21 VAL A 81 1.195 -8.940 -8.394 1.00 1.22 H ATOM 1292 HG22 VAL A 81 -0.085 -9.875 -9.168 1.00 1.16 H ATOM 1293 HG23 VAL A 81 0.627 -8.495 -10.002 1.00 0.97 H ATOM 1294 N LEU A 82 0.134 -5.015 -7.573 1.00 0.43 N ATOM 1295 CA LEU A 82 -0.222 -3.589 -7.456 1.00 0.40 C ATOM 1296 C LEU A 82 0.098 -2.881 -8.753 1.00 0.42 C ATOM 1297 O LEU A 82 1.037 -2.115 -8.843 1.00 0.45 O ATOM 1298 CB LEU A 82 0.555 -2.933 -6.329 1.00 0.40 C ATOM 1299 CG LEU A 82 -0.378 -2.765 -5.147 1.00 0.37 C ATOM 1300 CD1 LEU A 82 -0.500 -4.091 -4.393 1.00 0.40 C ATOM 1301 CD2 LEU A 82 0.166 -1.690 -4.208 1.00 0.37 C ATOM 1302 H LEU A 82 0.887 -5.280 -8.130 1.00 0.47 H ATOM 1303 HA LEU A 82 -1.281 -3.502 -7.255 1.00 0.36 H ATOM 1304 HB2 LEU A 82 1.399 -3.550 -6.053 1.00 0.45 H ATOM 1305 HB3 LEU A 82 0.895 -1.961 -6.652 1.00 0.40 H ATOM 1306 HG LEU A 82 -1.344 -2.470 -5.519 1.00 0.34 H ATOM 1307 HD11 LEU A 82 0.039 -4.860 -4.927 1.00 1.13 H ATOM 1308 HD12 LEU A 82 -0.081 -3.982 -3.403 1.00 0.99 H ATOM 1309 HD13 LEU A 82 -1.540 -4.367 -4.316 1.00 1.12 H ATOM 1310 HD21 LEU A 82 0.888 -1.083 -4.736 1.00 0.82 H ATOM 1311 HD22 LEU A 82 -0.648 -1.065 -3.867 1.00 1.11 H ATOM 1312 HD23 LEU A 82 0.640 -2.159 -3.360 1.00 1.12 H ATOM 1313 N THR A 83 -0.692 -3.106 -9.752 1.00 0.42 N ATOM 1314 CA THR A 83 -0.453 -2.421 -11.042 1.00 0.47 C ATOM 1315 C THR A 83 -0.410 -0.905 -10.809 1.00 0.46 C ATOM 1316 O THR A 83 -0.067 -0.151 -11.698 1.00 0.51 O ATOM 1317 CB THR A 83 -1.579 -2.752 -12.012 1.00 0.48 C ATOM 1318 OG1 THR A 83 -2.007 -4.092 -11.804 1.00 0.46 O ATOM 1319 CG2 THR A 83 -1.087 -2.586 -13.450 1.00 0.58 C ATOM 1320 H THR A 83 -1.453 -3.716 -9.649 1.00 0.41 H ATOM 1321 HA THR A 83 0.481 -2.747 -11.458 1.00 0.51 H ATOM 1322 HB THR A 83 -2.396 -2.082 -11.840 1.00 0.47 H ATOM 1323 HG1 THR A 83 -1.392 -4.673 -12.259 1.00 0.88 H ATOM 1324 HG21 THR A 83 -0.010 -2.508 -13.456 1.00 1.29 H ATOM 1325 HG22 THR A 83 -1.390 -3.442 -14.036 1.00 0.90 H ATOM 1326 HG23 THR A 83 -1.515 -1.690 -13.874 1.00 1.21 H ATOM 1327 N GLY A 84 -0.752 -0.436 -9.626 1.00 0.41 N ATOM 1328 CA GLY A 84 -0.714 1.031 -9.394 1.00 0.41 C ATOM 1329 C GLY A 84 0.333 1.356 -8.337 1.00 0.45 C ATOM 1330 O GLY A 84 0.619 0.558 -7.471 1.00 0.47 O ATOM 1331 H GLY A 84 -1.033 -1.041 -8.898 1.00 0.38 H ATOM 1332 HA2 GLY A 84 -0.466 1.536 -10.316 1.00 0.48 H ATOM 1333 HA3 GLY A 84 -1.676 1.371 -9.049 1.00 0.35 H ATOM 1334 N TYR A 85 0.891 2.530 -8.405 1.00 0.51 N ATOM 1335 CA TYR A 85 1.914 2.948 -7.409 1.00 0.57 C ATOM 1336 C TYR A 85 2.628 4.190 -7.943 1.00 0.66 C ATOM 1337 O TYR A 85 3.195 4.170 -9.016 1.00 0.84 O ATOM 1338 CB TYR A 85 2.942 1.832 -7.184 1.00 0.77 C ATOM 1339 CG TYR A 85 3.527 1.399 -8.507 1.00 0.95 C ATOM 1340 CD1 TYR A 85 4.652 2.055 -9.020 1.00 1.70 C ATOM 1341 CD2 TYR A 85 2.948 0.341 -9.219 1.00 1.47 C ATOM 1342 CE1 TYR A 85 5.200 1.653 -10.245 1.00 1.89 C ATOM 1343 CE2 TYR A 85 3.497 -0.062 -10.442 1.00 1.60 C ATOM 1344 CZ TYR A 85 4.622 0.595 -10.956 1.00 1.41 C ATOM 1345 OH TYR A 85 5.163 0.198 -12.162 1.00 1.67 O ATOM 1346 H TYR A 85 0.626 3.151 -9.116 1.00 0.52 H ATOM 1347 HA TYR A 85 1.422 3.183 -6.477 1.00 0.47 H ATOM 1348 HB2 TYR A 85 3.733 2.200 -6.549 1.00 0.90 H ATOM 1349 HB3 TYR A 85 2.465 0.989 -6.708 1.00 0.75 H ATOM 1350 HD1 TYR A 85 5.098 2.872 -8.472 1.00 2.44 H ATOM 1351 HD2 TYR A 85 2.081 -0.166 -8.823 1.00 2.20 H ATOM 1352 HE1 TYR A 85 6.067 2.159 -10.640 1.00 2.71 H ATOM 1353 HE2 TYR A 85 3.052 -0.879 -10.991 1.00 2.32 H ATOM 1354 HH TYR A 85 5.051 -0.752 -12.240 1.00 2.01 H ATOM 1355 N GLN A 86 2.602 5.275 -7.220 1.00 0.58 N ATOM 1356 CA GLN A 86 3.285 6.500 -7.731 1.00 0.73 C ATOM 1357 C GLN A 86 3.515 7.503 -6.599 1.00 0.49 C ATOM 1358 O GLN A 86 2.804 7.522 -5.612 1.00 0.29 O ATOM 1359 CB GLN A 86 2.422 7.151 -8.813 1.00 0.93 C ATOM 1360 CG GLN A 86 3.151 7.079 -10.157 1.00 1.31 C ATOM 1361 CD GLN A 86 3.962 8.359 -10.366 1.00 1.34 C ATOM 1362 OE1 GLN A 86 3.512 9.277 -11.022 1.00 1.92 O ATOM 1363 NE2 GLN A 86 5.150 8.460 -9.834 1.00 1.25 N ATOM 1364 H GLN A 86 2.133 5.284 -6.355 1.00 0.45 H ATOM 1365 HA GLN A 86 4.237 6.223 -8.157 1.00 0.95 H ATOM 1366 HB2 GLN A 86 1.479 6.628 -8.886 1.00 0.92 H ATOM 1367 HB3 GLN A 86 2.243 8.185 -8.558 1.00 0.93 H ATOM 1368 HG2 GLN A 86 3.815 6.226 -10.162 1.00 1.45 H ATOM 1369 HG3 GLN A 86 2.429 6.979 -10.953 1.00 1.51 H ATOM 1370 HE21 GLN A 86 5.515 7.719 -9.307 1.00 1.59 H ATOM 1371 HE22 GLN A 86 5.676 9.277 -9.961 1.00 1.24 H ATOM 1372 N VAL A 87 4.503 8.345 -6.755 1.00 0.59 N ATOM 1373 CA VAL A 87 4.802 9.366 -5.717 1.00 0.40 C ATOM 1374 C VAL A 87 4.003 10.632 -6.034 1.00 0.50 C ATOM 1375 O VAL A 87 2.898 10.553 -6.521 1.00 0.80 O ATOM 1376 CB VAL A 87 6.307 9.665 -5.723 1.00 0.51 C ATOM 1377 CG1 VAL A 87 6.655 10.589 -6.894 1.00 0.68 C ATOM 1378 CG2 VAL A 87 6.693 10.337 -4.405 1.00 0.44 C ATOM 1379 H VAL A 87 5.043 8.313 -7.566 1.00 0.81 H ATOM 1380 HA VAL A 87 4.511 8.991 -4.748 1.00 0.32 H ATOM 1381 HB VAL A 87 6.852 8.738 -5.827 1.00 0.67 H ATOM 1382 HG11 VAL A 87 5.806 10.663 -7.558 1.00 1.24 H ATOM 1383 HG12 VAL A 87 6.904 11.570 -6.517 1.00 1.13 H ATOM 1384 HG13 VAL A 87 7.499 10.184 -7.432 1.00 1.25 H ATOM 1385 HG21 VAL A 87 5.819 10.799 -3.970 1.00 1.12 H ATOM 1386 HG22 VAL A 87 7.087 9.598 -3.727 1.00 1.08 H ATOM 1387 HG23 VAL A 87 7.441 11.093 -4.595 1.00 1.12 H ATOM 1388 N ASP A 88 4.530 11.796 -5.776 1.00 0.49 N ATOM 1389 CA ASP A 88 3.757 13.017 -6.077 1.00 0.75 C ATOM 1390 C ASP A 88 4.616 14.000 -6.877 1.00 0.51 C ATOM 1391 O ASP A 88 5.408 13.606 -7.709 1.00 0.54 O ATOM 1392 CB ASP A 88 3.297 13.660 -4.769 1.00 1.17 C ATOM 1393 CG ASP A 88 4.478 14.367 -4.099 1.00 2.01 C ATOM 1394 OD1 ASP A 88 5.602 14.109 -4.500 1.00 2.50 O ATOM 1395 OD2 ASP A 88 4.239 15.156 -3.201 1.00 2.70 O ATOM 1396 H ASP A 88 5.414 11.870 -5.394 1.00 0.49 H ATOM 1397 HA ASP A 88 2.903 12.737 -6.655 1.00 1.04 H ATOM 1398 HB2 ASP A 88 2.517 14.374 -4.978 1.00 1.53 H ATOM 1399 HB3 ASP A 88 2.916 12.896 -4.107 1.00 0.96 H ATOM 1400 N LYS A 89 4.452 15.276 -6.640 1.00 0.55 N ATOM 1401 CA LYS A 89 5.243 16.296 -7.386 1.00 0.65 C ATOM 1402 C LYS A 89 4.589 16.550 -8.746 1.00 0.76 C ATOM 1403 O LYS A 89 5.212 16.431 -9.780 1.00 1.55 O ATOM 1404 CB LYS A 89 6.679 15.805 -7.590 1.00 0.59 C ATOM 1405 CG LYS A 89 7.658 16.925 -7.230 1.00 0.81 C ATOM 1406 CD LYS A 89 9.047 16.332 -6.987 1.00 1.37 C ATOM 1407 CE LYS A 89 9.842 17.252 -6.059 1.00 1.48 C ATOM 1408 NZ LYS A 89 11.146 16.614 -5.727 1.00 2.24 N ATOM 1409 H LYS A 89 3.797 15.568 -5.974 1.00 0.71 H ATOM 1410 HA LYS A 89 5.254 17.216 -6.820 1.00 0.86 H ATOM 1411 HB2 LYS A 89 6.860 14.949 -6.956 1.00 0.55 H ATOM 1412 HB3 LYS A 89 6.820 15.525 -8.623 1.00 0.68 H ATOM 1413 HG2 LYS A 89 7.707 17.635 -8.044 1.00 1.30 H ATOM 1414 HG3 LYS A 89 7.320 17.425 -6.335 1.00 1.28 H ATOM 1415 HD2 LYS A 89 8.948 15.358 -6.530 1.00 2.01 H ATOM 1416 HD3 LYS A 89 9.568 16.237 -7.928 1.00 2.07 H ATOM 1417 HE2 LYS A 89 10.020 18.196 -6.553 1.00 1.64 H ATOM 1418 HE3 LYS A 89 9.282 17.420 -5.151 1.00 2.01 H ATOM 1419 HZ1 LYS A 89 11.002 15.597 -5.561 1.00 2.72 H ATOM 1420 HZ2 LYS A 89 11.808 16.746 -6.518 1.00 2.59 H ATOM 1421 HZ3 LYS A 89 11.542 17.053 -4.872 1.00 2.66 H ATOM 1422 N ASN A 90 3.333 16.906 -8.740 1.00 0.63 N ATOM 1423 CA ASN A 90 2.611 17.184 -10.016 1.00 0.70 C ATOM 1424 C ASN A 90 3.014 16.176 -11.091 1.00 0.79 C ATOM 1425 O ASN A 90 3.127 16.507 -12.255 1.00 1.03 O ATOM 1426 CB ASN A 90 2.948 18.598 -10.489 1.00 0.99 C ATOM 1427 CG ASN A 90 4.461 18.799 -10.428 1.00 1.16 C ATOM 1428 OD1 ASN A 90 4.967 19.440 -9.526 1.00 1.67 O ATOM 1429 ND2 ASN A 90 5.211 18.272 -11.355 1.00 1.28 N ATOM 1430 H ASN A 90 2.860 16.995 -7.889 1.00 1.14 H ATOM 1431 HA ASN A 90 1.549 17.108 -9.843 1.00 0.62 H ATOM 1432 HB2 ASN A 90 2.605 18.731 -11.505 1.00 1.14 H ATOM 1433 HB3 ASN A 90 2.465 19.318 -9.846 1.00 1.02 H ATOM 1434 HD21 ASN A 90 4.802 17.756 -12.081 1.00 1.63 H ATOM 1435 HD22 ASN A 90 6.181 18.381 -11.320 1.00 1.35 H ATOM 1436 N LYS A 91 3.213 14.946 -10.717 1.00 0.73 N ATOM 1437 CA LYS A 91 3.586 13.914 -11.727 1.00 1.00 C ATOM 1438 C LYS A 91 2.379 13.027 -11.993 1.00 0.98 C ATOM 1439 O LYS A 91 1.868 12.965 -13.094 1.00 1.10 O ATOM 1440 CB LYS A 91 4.732 13.051 -11.200 1.00 1.22 C ATOM 1441 CG LYS A 91 6.059 13.784 -11.381 1.00 1.35 C ATOM 1442 CD LYS A 91 7.018 13.352 -10.274 1.00 1.03 C ATOM 1443 CE LYS A 91 8.437 13.804 -10.622 1.00 1.07 C ATOM 1444 NZ LYS A 91 9.330 13.576 -9.452 1.00 1.45 N ATOM 1445 H LYS A 91 3.102 14.698 -9.777 1.00 0.60 H ATOM 1446 HA LYS A 91 3.879 14.397 -12.641 1.00 1.15 H ATOM 1447 HB2 LYS A 91 4.574 12.848 -10.151 1.00 1.09 H ATOM 1448 HB3 LYS A 91 4.761 12.120 -11.746 1.00 1.61 H ATOM 1449 HG2 LYS A 91 6.481 13.535 -12.344 1.00 1.90 H ATOM 1450 HG3 LYS A 91 5.896 14.850 -11.321 1.00 1.64 H ATOM 1451 HD2 LYS A 91 6.712 13.802 -9.340 1.00 1.23 H ATOM 1452 HD3 LYS A 91 6.994 12.276 -10.180 1.00 1.20 H ATOM 1453 HE2 LYS A 91 8.798 13.236 -11.467 1.00 1.67 H ATOM 1454 HE3 LYS A 91 8.430 14.856 -10.871 1.00 1.50 H ATOM 1455 HZ1 LYS A 91 8.819 13.805 -8.577 1.00 1.92 H ATOM 1456 HZ2 LYS A 91 9.624 12.579 -9.429 1.00 1.82 H ATOM 1457 HZ3 LYS A 91 10.170 14.185 -9.533 1.00 2.00 H ATOM 1458 N ASP A 92 1.906 12.356 -10.986 1.00 0.92 N ATOM 1459 CA ASP A 92 0.714 11.488 -11.176 1.00 1.02 C ATOM 1460 C ASP A 92 -0.539 12.366 -11.229 1.00 0.87 C ATOM 1461 O ASP A 92 -1.649 11.873 -11.257 1.00 1.07 O ATOM 1462 CB ASP A 92 0.602 10.504 -10.010 1.00 1.15 C ATOM 1463 CG ASP A 92 -0.008 9.192 -10.506 1.00 1.67 C ATOM 1464 OD1 ASP A 92 -1.120 9.230 -11.008 1.00 2.23 O ATOM 1465 OD2 ASP A 92 0.646 8.171 -10.374 1.00 2.09 O ATOM 1466 H ASP A 92 2.328 12.431 -10.103 1.00 0.88 H ATOM 1467 HA ASP A 92 0.811 10.941 -12.102 1.00 1.19 H ATOM 1468 HB2 ASP A 92 1.584 10.315 -9.603 1.00 1.24 H ATOM 1469 HB3 ASP A 92 -0.031 10.926 -9.243 1.00 1.02 H ATOM 1470 N ASP A 93 -0.375 13.665 -11.246 1.00 0.65 N ATOM 1471 CA ASP A 93 -1.564 14.560 -11.298 1.00 0.67 C ATOM 1472 C ASP A 93 -2.455 14.150 -12.470 1.00 0.86 C ATOM 1473 O ASP A 93 -1.986 13.663 -13.480 1.00 1.14 O ATOM 1474 CB ASP A 93 -1.105 16.007 -11.488 1.00 0.74 C ATOM 1475 CG ASP A 93 -2.326 16.928 -11.536 1.00 1.08 C ATOM 1476 OD1 ASP A 93 -2.942 17.008 -12.586 1.00 1.41 O ATOM 1477 OD2 ASP A 93 -2.624 17.536 -10.522 1.00 1.81 O ATOM 1478 H ASP A 93 0.528 14.053 -11.223 1.00 0.62 H ATOM 1479 HA ASP A 93 -2.120 14.476 -10.375 1.00 0.76 H ATOM 1480 HB2 ASP A 93 -0.468 16.294 -10.664 1.00 0.71 H ATOM 1481 HB3 ASP A 93 -0.556 16.092 -12.414 1.00 0.83 H ATOM 1482 N GLU A 94 -3.740 14.342 -12.345 1.00 1.00 N ATOM 1483 CA GLU A 94 -4.661 13.963 -13.453 1.00 1.22 C ATOM 1484 C GLU A 94 -6.096 14.312 -13.059 1.00 1.33 C ATOM 1485 O GLU A 94 -6.529 14.050 -11.953 1.00 1.55 O ATOM 1486 CB GLU A 94 -4.556 12.458 -13.711 1.00 1.46 C ATOM 1487 CG GLU A 94 -3.978 12.218 -15.106 1.00 1.69 C ATOM 1488 CD GLU A 94 -4.966 12.717 -16.161 1.00 2.29 C ATOM 1489 OE1 GLU A 94 -5.924 12.011 -16.426 1.00 2.71 O ATOM 1490 OE2 GLU A 94 -4.749 13.797 -16.686 1.00 2.86 O ATOM 1491 H GLU A 94 -4.098 14.736 -11.522 1.00 1.15 H ATOM 1492 HA GLU A 94 -4.391 14.502 -14.348 1.00 1.26 H ATOM 1493 HB2 GLU A 94 -3.912 12.009 -12.970 1.00 1.43 H ATOM 1494 HB3 GLU A 94 -5.539 12.014 -13.650 1.00 1.72 H ATOM 1495 HG2 GLU A 94 -3.044 12.753 -15.204 1.00 1.93 H ATOM 1496 HG3 GLU A 94 -3.805 11.162 -15.247 1.00 1.81 H ATOM 1497 N LEU A 95 -6.840 14.900 -13.955 1.00 1.48 N ATOM 1498 CA LEU A 95 -8.247 15.261 -13.627 1.00 1.65 C ATOM 1499 C LEU A 95 -8.943 14.056 -12.991 1.00 1.78 C ATOM 1500 O LEU A 95 -8.472 12.939 -13.077 1.00 2.18 O ATOM 1501 CB LEU A 95 -8.982 15.662 -14.909 1.00 1.99 C ATOM 1502 CG LEU A 95 -9.244 17.169 -14.896 1.00 2.21 C ATOM 1503 CD1 LEU A 95 -8.085 17.897 -15.582 1.00 2.58 C ATOM 1504 CD2 LEU A 95 -10.544 17.463 -15.646 1.00 2.74 C ATOM 1505 H LEU A 95 -6.476 15.102 -14.841 1.00 1.66 H ATOM 1506 HA LEU A 95 -8.255 16.089 -12.934 1.00 1.64 H ATOM 1507 HB2 LEU A 95 -8.376 15.407 -15.766 1.00 2.13 H ATOM 1508 HB3 LEU A 95 -9.923 15.136 -14.964 1.00 2.15 H ATOM 1509 HG LEU A 95 -9.329 17.511 -13.875 1.00 2.37 H ATOM 1510 HD11 LEU A 95 -7.167 17.357 -15.406 1.00 2.87 H ATOM 1511 HD12 LEU A 95 -8.273 17.952 -16.644 1.00 2.84 H ATOM 1512 HD13 LEU A 95 -7.999 18.896 -15.178 1.00 3.02 H ATOM 1513 HD21 LEU A 95 -11.277 16.705 -15.406 1.00 3.33 H ATOM 1514 HD22 LEU A 95 -10.920 18.432 -15.352 1.00 2.88 H ATOM 1515 HD23 LEU A 95 -10.357 17.458 -16.710 1.00 3.05 H ATOM 1516 N THR A 96 -10.060 14.271 -12.351 1.00 1.76 N ATOM 1517 CA THR A 96 -10.782 13.134 -11.710 1.00 2.02 C ATOM 1518 C THR A 96 -12.263 13.192 -12.086 1.00 2.08 C ATOM 1519 O THR A 96 -12.755 14.198 -12.557 1.00 2.27 O ATOM 1520 CB THR A 96 -10.635 13.230 -10.186 1.00 2.53 C ATOM 1521 OG1 THR A 96 -11.281 14.406 -9.712 1.00 2.79 O ATOM 1522 CG2 THR A 96 -9.151 13.280 -9.818 1.00 2.97 C ATOM 1523 H THR A 96 -10.424 15.178 -12.291 1.00 1.79 H ATOM 1524 HA THR A 96 -10.360 12.201 -12.054 1.00 2.17 H ATOM 1525 HB THR A 96 -11.084 12.362 -9.728 1.00 2.71 H ATOM 1526 HG1 THR A 96 -11.811 14.768 -10.426 1.00 2.92 H ATOM 1527 HG21 THR A 96 -8.651 12.409 -10.216 1.00 3.48 H ATOM 1528 HG22 THR A 96 -8.707 14.172 -10.234 1.00 3.31 H ATOM 1529 HG23 THR A 96 -9.048 13.294 -8.743 1.00 2.98 H ATOM 1530 N GLY A 97 -12.981 12.120 -11.882 1.00 2.23 N ATOM 1531 CA GLY A 97 -14.430 12.116 -12.230 1.00 2.48 C ATOM 1532 C GLY A 97 -15.262 12.353 -10.968 1.00 2.88 C ATOM 1533 O GLY A 97 -16.334 12.920 -11.018 1.00 3.52 O ATOM 1534 H GLY A 97 -12.565 11.318 -11.502 1.00 2.36 H ATOM 1535 HA2 GLY A 97 -14.629 12.901 -12.946 1.00 2.78 H ATOM 1536 HA3 GLY A 97 -14.695 11.161 -12.658 1.00 2.61 H ATOM 1537 N PHE A 98 -14.776 11.924 -9.835 1.00 2.89 N ATOM 1538 CA PHE A 98 -15.541 12.127 -8.572 1.00 3.81 C ATOM 1539 C PHE A 98 -14.594 12.618 -7.477 1.00 4.54 C ATOM 1540 O PHE A 98 -15.084 13.118 -6.478 1.00 5.07 O ATOM 1541 CB PHE A 98 -16.173 10.802 -8.141 1.00 4.33 C ATOM 1542 CG PHE A 98 -17.674 10.887 -8.283 1.00 4.99 C ATOM 1543 CD1 PHE A 98 -18.410 11.735 -7.445 1.00 5.76 C ATOM 1544 CD2 PHE A 98 -18.330 10.114 -9.248 1.00 5.22 C ATOM 1545 CE1 PHE A 98 -19.802 11.810 -7.574 1.00 6.60 C ATOM 1546 CE2 PHE A 98 -19.723 10.189 -9.377 1.00 6.12 C ATOM 1547 CZ PHE A 98 -20.458 11.037 -8.540 1.00 6.74 C ATOM 1548 OXT PHE A 98 -13.394 12.488 -7.657 1.00 4.95 O ATOM 1549 H PHE A 98 -13.909 11.468 -9.814 1.00 2.50 H ATOM 1550 HA PHE A 98 -16.318 12.860 -8.735 1.00 4.11 H ATOM 1551 HB2 PHE A 98 -15.796 10.004 -8.764 1.00 4.07 H ATOM 1552 HB3 PHE A 98 -15.919 10.603 -7.109 1.00 4.93 H ATOM 1553 HD1 PHE A 98 -17.904 12.331 -6.700 1.00 5.92 H ATOM 1554 HD2 PHE A 98 -17.763 9.461 -9.893 1.00 4.97 H ATOM 1555 HE1 PHE A 98 -20.371 12.463 -6.929 1.00 7.31 H ATOM 1556 HE2 PHE A 98 -20.229 9.593 -10.121 1.00 6.53 H ATOM 1557 HZ PHE A 98 -21.532 11.094 -8.639 1.00 7.52 H TER 1558 PHE A 98 MASTER 113 0 0 2 10 0 0 6 1557 1 0 8 END