HEADER TRANSCRIPTION ACTIVATOR 25-JUL-06 2HTJ TITLE NMR STRUCTURE OF E.COLI PAPI COMPND MOL_ID: 1; COMPND 2 MOLECULE: P FIMBRIAL REGULATORY PROTEIN KS71A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET28B(+) KEYWDS WINGED HELIX-TURN-HELIX, PAP PILI, TRANSCRIPTION ACTIVATOR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.KAWAMURA,H.ZHOU,L.U.K.LE,F.W.DAHLQUIST REVDAT 3 24-FEB-09 2HTJ 1 VERSN REVDAT 2 06-FEB-07 2HTJ 1 JRNL REVDAT 1 30-JAN-07 2HTJ 0 JRNL AUTH T.KAWAMURA,L.U.LE,H.ZHOU,F.W.DAHLQUIST JRNL TITL SOLUTION STRUCTURE OF ESCHERICHIA COLI PAPI, A KEY JRNL TITL 2 REGULATOR OF THE PAP PILI PHASE VARIATION. JRNL REF J.MOL.BIOL. V. 365 1130 2007 JRNL REFN ISSN 0022-2836 JRNL PMID 17109885 JRNL DOI 10.1016/J.JMB.2006.10.066 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2HTJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-06. REMARK 100 THE RCSB ID CODE IS RCSB038743. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 150MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 50MM POTASSIUM PHOSPHATE REMARK 210 PH6.0, 150MM POTASSIUM REMARK 210 CHLORIDE, 5MM B- REMARK 210 MERCAPTOETHANOL, 100UM EDTA, REMARK 210 8% D2O, 0.02% SODIUM AZIDE; REMARK 210 50MM POTASSIUM PHOSPHATE REMARK 210 PD6.0, 150MM POTASSIUM REMARK 210 CHLORIDE, 2MM DTT, D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 4D_13C-SEPARATED_ REMARK 210 NOESY, 4D_13C/15N-SEPARATED_ REMARK 210 NOESY, HNHA, 3D_15N-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG4OPENGL 1.0.4, NMRPIPE REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : 0 REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 HIS A 12 -151.36 -108.42 REMARK 500 ASN A 13 108.84 170.72 REMARK 500 VAL A 26 -137.87 -86.15 REMARK 500 LEU A 49 94.61 -33.04 REMARK 500 MET A 53 51.94 179.84 REMARK 500 ALA A 54 24.96 179.78 REMARK 500 THR A 55 -165.46 41.93 REMARK 500 LEU A 59 162.00 -42.08 REMARK 500 LYS A 60 66.66 -65.40 REMARK 500 GLU A 62 -110.76 -177.02 REMARK 500 GLN A 64 17.73 55.48 REMARK 500 SER A 68 96.99 -48.60 REMARK 500 HIS A 76 117.22 56.91 REMARK 500 HIS A 77 92.87 -59.65 REMARK 500 HIS A 78 105.01 57.07 REMARK 500 HIS A 79 153.34 -42.60 REMARK 500 HIS A 80 -58.86 67.24 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 11 0.32 SIDE_CHAIN REMARK 500 ARG A 32 0.27 SIDE_CHAIN REMARK 500 ARG A 46 0.14 SIDE_CHAIN REMARK 500 ARG A 50 0.22 SIDE_CHAIN REMARK 500 ARG A 51 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 2HTJ A 1 73 UNP P62584 KS7A_ECOLI 5 77 SEQADV 2HTJ LEU A 74 UNP P62584 EXPRESSION TAG SEQADV 2HTJ GLU A 75 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 76 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 77 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 78 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 79 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 80 UNP P62584 EXPRESSION TAG SEQADV 2HTJ HIS A 81 UNP P62584 EXPRESSION TAG SEQRES 1 A 81 MET LYS ASN GLU ILE LEU GLU PHE LEU ASN ARG HIS ASN SEQRES 2 A 81 GLY GLY LYS THR ALA GLU ILE ALA GLU ALA LEU ALA VAL SEQRES 3 A 81 THR ASP TYR GLN ALA ARG TYR TYR LEU LEU LEU LEU GLU SEQRES 4 A 81 LYS ALA GLY MET VAL GLN ARG SER PRO LEU ARG ARG GLY SEQRES 5 A 81 MET ALA THR TYR TRP PHE LEU LYS GLY GLU LYS GLN ALA SEQRES 6 A 81 GLY GLN SER CYS SER SER THR THR LEU GLU HIS HIS HIS SEQRES 7 A 81 HIS HIS HIS HELIX 1 1 MET A 1 HIS A 12 1 12 HELIX 2 2 LYS A 16 ALA A 25 1 10 HELIX 3 3 THR A 27 GLY A 42 1 16 HELIX 4 4 GLN A 67 THR A 72 5 6 SHEET 1 A 2 VAL A 44 SER A 47 0 SHEET 2 A 2 TYR A 56 LEU A 59 -1 O TYR A 56 N SER A 47 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 10.249 -0.871 11.156 1.00 1.92 N ATOM 2 CA MET A 1 8.857 -1.357 11.381 1.00 1.14 C ATOM 3 C MET A 1 8.147 -1.566 10.041 1.00 0.86 C ATOM 4 O MET A 1 7.660 -0.634 9.433 1.00 0.89 O ATOM 5 CB MET A 1 8.175 -0.249 12.183 1.00 1.51 C ATOM 6 CG MET A 1 8.043 -0.682 13.644 1.00 1.94 C ATOM 7 SD MET A 1 9.690 -0.879 14.366 1.00 2.87 S ATOM 8 CE MET A 1 9.158 -1.155 16.073 1.00 3.42 C ATOM 9 H1 MET A 1 10.831 -1.084 11.991 1.00 2.48 H ATOM 10 H2 MET A 1 10.234 0.158 10.996 1.00 2.35 H ATOM 11 H3 MET A 1 10.653 -1.346 10.324 1.00 2.32 H ATOM 12 HA MET A 1 8.865 -2.273 11.951 1.00 1.62 H ATOM 13 HB2 MET A 1 8.767 0.653 12.126 1.00 2.11 H ATOM 14 HB3 MET A 1 7.193 -0.061 11.775 1.00 1.92 H ATOM 15 HG2 MET A 1 7.496 0.069 14.194 1.00 2.41 H ATOM 16 HG3 MET A 1 7.513 -1.622 13.694 1.00 2.19 H ATOM 17 HE1 MET A 1 8.969 -2.209 16.225 1.00 3.61 H ATOM 18 HE2 MET A 1 8.254 -0.599 16.264 1.00 3.81 H ATOM 19 HE3 MET A 1 9.933 -0.821 16.750 1.00 3.83 H ATOM 20 N LYS A 2 8.085 -2.784 9.575 1.00 0.77 N ATOM 21 CA LYS A 2 7.406 -3.051 8.275 1.00 0.62 C ATOM 22 C LYS A 2 5.916 -2.715 8.376 1.00 0.51 C ATOM 23 O LYS A 2 5.299 -2.294 7.418 1.00 0.51 O ATOM 24 CB LYS A 2 7.603 -4.547 8.026 1.00 0.76 C ATOM 25 CG LYS A 2 6.727 -5.346 8.993 1.00 1.24 C ATOM 26 CD LYS A 2 7.282 -6.764 9.134 1.00 1.54 C ATOM 27 CE LYS A 2 6.175 -7.778 8.836 1.00 1.94 C ATOM 28 NZ LYS A 2 6.704 -9.080 9.332 1.00 2.49 N ATOM 29 H LYS A 2 8.484 -3.523 10.081 1.00 0.94 H ATOM 30 HA LYS A 2 7.869 -2.483 7.484 1.00 0.68 H ATOM 31 HB2 LYS A 2 7.324 -4.782 7.009 1.00 1.34 H ATOM 32 HB3 LYS A 2 8.639 -4.806 8.185 1.00 1.23 H ATOM 33 HG2 LYS A 2 6.724 -4.862 9.959 1.00 1.88 H ATOM 34 HG3 LYS A 2 5.718 -5.392 8.611 1.00 1.89 H ATOM 35 HD2 LYS A 2 8.096 -6.902 8.436 1.00 2.14 H ATOM 36 HD3 LYS A 2 7.641 -6.912 10.141 1.00 1.94 H ATOM 37 HE2 LYS A 2 5.270 -7.511 9.364 1.00 2.33 H ATOM 38 HE3 LYS A 2 5.991 -7.834 7.775 1.00 2.41 H ATOM 39 HZ1 LYS A 2 7.301 -8.917 10.166 1.00 2.88 H ATOM 40 HZ2 LYS A 2 7.268 -9.532 8.583 1.00 2.87 H ATOM 41 HZ3 LYS A 2 5.911 -9.700 9.591 1.00 2.86 H ATOM 42 N ASN A 3 5.334 -2.897 9.529 1.00 0.53 N ATOM 43 CA ASN A 3 3.885 -2.588 9.690 1.00 0.53 C ATOM 44 C ASN A 3 3.595 -1.153 9.242 1.00 0.49 C ATOM 45 O ASN A 3 2.576 -0.874 8.643 1.00 0.51 O ATOM 46 CB ASN A 3 3.609 -2.749 11.186 1.00 0.66 C ATOM 47 CG ASN A 3 3.143 -4.178 11.469 1.00 1.53 C ATOM 48 OD1 ASN A 3 3.866 -5.124 11.227 1.00 2.38 O ATOM 49 ND2 ASN A 3 1.957 -4.377 11.976 1.00 2.25 N ATOM 50 H ASN A 3 5.850 -3.238 10.290 1.00 0.62 H ATOM 51 HA ASN A 3 3.285 -3.287 9.128 1.00 0.54 H ATOM 52 HB2 ASN A 3 4.513 -2.546 11.742 1.00 1.22 H ATOM 53 HB3 ASN A 3 2.838 -2.055 11.486 1.00 1.31 H ATOM 54 HD21 ASN A 3 1.374 -3.614 12.172 1.00 2.40 H ATOM 55 HD22 ASN A 3 1.650 -5.289 12.162 1.00 3.05 H ATOM 56 N GLU A 4 4.484 -0.241 9.527 1.00 0.49 N ATOM 57 CA GLU A 4 4.257 1.175 9.117 1.00 0.53 C ATOM 58 C GLU A 4 4.326 1.301 7.593 1.00 0.49 C ATOM 59 O GLU A 4 3.626 2.093 6.994 1.00 0.55 O ATOM 60 CB GLU A 4 5.391 1.963 9.772 1.00 0.62 C ATOM 61 CG GLU A 4 4.808 3.131 10.570 1.00 1.01 C ATOM 62 CD GLU A 4 5.851 3.640 11.567 1.00 1.12 C ATOM 63 OE1 GLU A 4 6.724 2.867 11.927 1.00 1.84 O ATOM 64 OE2 GLU A 4 5.760 4.794 11.952 1.00 1.64 O ATOM 65 H GLU A 4 5.300 -0.486 10.011 1.00 0.52 H ATOM 66 HA GLU A 4 3.305 1.526 9.483 1.00 0.56 H ATOM 67 HB2 GLU A 4 5.945 1.313 10.435 1.00 0.89 H ATOM 68 HB3 GLU A 4 6.052 2.346 9.009 1.00 0.90 H ATOM 69 HG2 GLU A 4 4.536 3.928 9.893 1.00 1.64 H ATOM 70 HG3 GLU A 4 3.932 2.799 11.107 1.00 1.69 H ATOM 71 N ILE A 5 5.167 0.529 6.964 1.00 0.43 N ATOM 72 CA ILE A 5 5.286 0.606 5.480 1.00 0.45 C ATOM 73 C ILE A 5 4.047 0.003 4.812 1.00 0.37 C ATOM 74 O ILE A 5 3.496 0.564 3.886 1.00 0.39 O ATOM 75 CB ILE A 5 6.527 -0.215 5.141 1.00 0.47 C ATOM 76 CG1 ILE A 5 7.734 0.358 5.888 1.00 0.68 C ATOM 77 CG2 ILE A 5 6.782 -0.155 3.634 1.00 0.57 C ATOM 78 CD1 ILE A 5 9.020 -0.247 5.325 1.00 0.83 C ATOM 79 H ILE A 5 5.725 -0.100 7.467 1.00 0.43 H ATOM 80 HA ILE A 5 5.424 1.628 5.165 1.00 0.55 H ATOM 81 HB ILE A 5 6.372 -1.242 5.439 1.00 0.39 H ATOM 82 HG12 ILE A 5 7.756 1.431 5.764 1.00 1.18 H ATOM 83 HG13 ILE A 5 7.655 0.118 6.937 1.00 1.32 H ATOM 84 HG21 ILE A 5 5.851 -0.302 3.106 1.00 1.23 H ATOM 85 HG22 ILE A 5 7.480 -0.931 3.355 1.00 1.13 H ATOM 86 HG23 ILE A 5 7.193 0.809 3.376 1.00 1.18 H ATOM 87 HD11 ILE A 5 8.905 -1.317 5.237 1.00 1.49 H ATOM 88 HD12 ILE A 5 9.842 -0.026 5.989 1.00 1.42 H ATOM 89 HD13 ILE A 5 9.219 0.176 4.351 1.00 1.36 H ATOM 90 N LEU A 6 3.604 -1.134 5.274 1.00 0.32 N ATOM 91 CA LEU A 6 2.401 -1.765 4.661 1.00 0.30 C ATOM 92 C LEU A 6 1.162 -0.927 4.977 1.00 0.33 C ATOM 93 O LEU A 6 0.373 -0.612 4.108 1.00 0.32 O ATOM 94 CB LEU A 6 2.303 -3.147 5.309 1.00 0.33 C ATOM 95 CG LEU A 6 3.655 -3.859 5.212 1.00 0.34 C ATOM 96 CD1 LEU A 6 3.478 -5.340 5.550 1.00 0.65 C ATOM 97 CD2 LEU A 6 4.206 -3.725 3.789 1.00 0.71 C ATOM 98 H LEU A 6 4.059 -1.570 6.024 1.00 0.34 H ATOM 99 HA LEU A 6 2.529 -1.864 3.595 1.00 0.34 H ATOM 100 HB2 LEU A 6 2.026 -3.038 6.348 1.00 0.38 H ATOM 101 HB3 LEU A 6 1.553 -3.732 4.797 1.00 0.40 H ATOM 102 HG LEU A 6 4.347 -3.412 5.912 1.00 0.60 H ATOM 103 HD11 LEU A 6 2.530 -5.484 6.047 1.00 1.26 H ATOM 104 HD12 LEU A 6 4.278 -5.659 6.200 1.00 1.40 H ATOM 105 HD13 LEU A 6 3.499 -5.921 4.640 1.00 1.16 H ATOM 106 HD21 LEU A 6 4.215 -2.684 3.503 1.00 1.35 H ATOM 107 HD22 LEU A 6 3.579 -4.281 3.107 1.00 1.31 H ATOM 108 HD23 LEU A 6 5.212 -4.117 3.754 1.00 1.30 H ATOM 109 N GLU A 7 0.991 -0.556 6.215 1.00 0.45 N ATOM 110 CA GLU A 7 -0.190 0.271 6.588 1.00 0.53 C ATOM 111 C GLU A 7 -0.162 1.588 5.810 1.00 0.46 C ATOM 112 O GLU A 7 -1.183 2.100 5.395 1.00 0.45 O ATOM 113 CB GLU A 7 -0.031 0.527 8.086 1.00 0.71 C ATOM 114 CG GLU A 7 -1.409 0.541 8.752 1.00 1.23 C ATOM 115 CD GLU A 7 -1.253 0.840 10.244 1.00 1.40 C ATOM 116 OE1 GLU A 7 -0.674 1.865 10.565 1.00 2.05 O ATOM 117 OE2 GLU A 7 -1.716 0.040 11.040 1.00 1.98 O ATOM 118 H GLU A 7 1.644 -0.814 6.898 1.00 0.53 H ATOM 119 HA GLU A 7 -1.105 -0.265 6.397 1.00 0.56 H ATOM 120 HB2 GLU A 7 0.573 -0.257 8.521 1.00 0.86 H ATOM 121 HB3 GLU A 7 0.451 1.480 8.240 1.00 0.93 H ATOM 122 HG2 GLU A 7 -2.022 1.303 8.292 1.00 1.88 H ATOM 123 HG3 GLU A 7 -1.879 -0.423 8.627 1.00 1.93 H ATOM 124 N PHE A 8 1.005 2.134 5.605 1.00 0.47 N ATOM 125 CA PHE A 8 1.111 3.413 4.847 1.00 0.48 C ATOM 126 C PHE A 8 0.637 3.204 3.406 1.00 0.41 C ATOM 127 O PHE A 8 -0.141 3.974 2.879 1.00 0.45 O ATOM 128 CB PHE A 8 2.601 3.767 4.890 1.00 0.57 C ATOM 129 CG PHE A 8 2.938 4.723 3.769 1.00 0.57 C ATOM 130 CD1 PHE A 8 2.048 5.750 3.434 1.00 0.61 C ATOM 131 CD2 PHE A 8 4.139 4.578 3.064 1.00 0.80 C ATOM 132 CE1 PHE A 8 2.359 6.634 2.394 1.00 0.71 C ATOM 133 CE2 PHE A 8 4.450 5.462 2.024 1.00 0.91 C ATOM 134 CZ PHE A 8 3.560 6.490 1.689 1.00 0.80 C ATOM 135 H PHE A 8 1.815 1.699 5.945 1.00 0.51 H ATOM 136 HA PHE A 8 0.533 4.186 5.328 1.00 0.52 H ATOM 137 HB2 PHE A 8 2.832 4.231 5.837 1.00 0.64 H ATOM 138 HB3 PHE A 8 3.187 2.866 4.780 1.00 0.67 H ATOM 139 HD1 PHE A 8 1.122 5.862 3.978 1.00 0.75 H ATOM 140 HD2 PHE A 8 4.825 3.784 3.322 1.00 1.00 H ATOM 141 HE1 PHE A 8 1.673 7.427 2.136 1.00 0.86 H ATOM 142 HE2 PHE A 8 5.376 5.351 1.480 1.00 1.17 H ATOM 143 HZ PHE A 8 3.800 7.172 0.886 1.00 0.93 H ATOM 144 N LEU A 9 1.099 2.164 2.766 1.00 0.39 N ATOM 145 CA LEU A 9 0.674 1.903 1.361 1.00 0.43 C ATOM 146 C LEU A 9 -0.843 1.709 1.299 1.00 0.44 C ATOM 147 O LEU A 9 -1.470 1.961 0.289 1.00 0.56 O ATOM 148 CB LEU A 9 1.399 0.618 0.961 1.00 0.47 C ATOM 149 CG LEU A 9 2.659 0.965 0.166 1.00 0.52 C ATOM 150 CD1 LEU A 9 3.437 2.063 0.893 1.00 0.88 C ATOM 151 CD2 LEU A 9 3.538 -0.280 0.037 1.00 1.12 C ATOM 152 H LEU A 9 1.724 1.554 3.210 1.00 0.43 H ATOM 153 HA LEU A 9 0.978 2.714 0.718 1.00 0.51 H ATOM 154 HB2 LEU A 9 1.673 0.068 1.850 1.00 0.49 H ATOM 155 HB3 LEU A 9 0.746 0.012 0.350 1.00 0.56 H ATOM 156 HG LEU A 9 2.378 1.314 -0.818 1.00 0.98 H ATOM 157 HD11 LEU A 9 3.232 3.017 0.429 1.00 1.49 H ATOM 158 HD12 LEU A 9 4.495 1.854 0.833 1.00 1.48 H ATOM 159 HD13 LEU A 9 3.134 2.094 1.929 1.00 1.41 H ATOM 160 HD21 LEU A 9 4.144 -0.387 0.924 1.00 1.78 H ATOM 161 HD22 LEU A 9 4.179 -0.181 -0.827 1.00 1.68 H ATOM 162 HD23 LEU A 9 2.912 -1.153 -0.079 1.00 1.51 H ATOM 163 N ASN A 10 -1.438 1.264 2.373 1.00 0.41 N ATOM 164 CA ASN A 10 -2.914 1.056 2.374 1.00 0.50 C ATOM 165 C ASN A 10 -3.634 2.393 2.176 1.00 0.54 C ATOM 166 O ASN A 10 -4.446 2.545 1.285 1.00 0.66 O ATOM 167 CB ASN A 10 -3.232 0.475 3.752 1.00 0.55 C ATOM 168 CG ASN A 10 -4.432 -0.468 3.645 1.00 0.89 C ATOM 169 OD1 ASN A 10 -5.253 -0.326 2.760 1.00 1.70 O ATOM 170 ND2 ASN A 10 -4.569 -1.431 4.514 1.00 1.42 N ATOM 171 H ASN A 10 -0.914 1.067 3.178 1.00 0.39 H ATOM 172 HA ASN A 10 -3.198 0.356 1.604 1.00 0.58 H ATOM 173 HB2 ASN A 10 -2.374 -0.072 4.118 1.00 0.83 H ATOM 174 HB3 ASN A 10 -3.466 1.276 4.436 1.00 0.85 H ATOM 175 HD21 ASN A 10 -3.907 -1.546 5.228 1.00 1.95 H ATOM 176 HD22 ASN A 10 -5.334 -2.040 4.454 1.00 1.76 H ATOM 177 N ARG A 11 -3.340 3.364 2.998 1.00 0.58 N ATOM 178 CA ARG A 11 -4.007 4.690 2.853 1.00 0.70 C ATOM 179 C ARG A 11 -3.728 5.269 1.463 1.00 0.75 C ATOM 180 O ARG A 11 -4.607 5.798 0.813 1.00 0.96 O ATOM 181 CB ARG A 11 -3.380 5.569 3.936 1.00 0.77 C ATOM 182 CG ARG A 11 -4.400 5.812 5.050 1.00 1.42 C ATOM 183 CD ARG A 11 -5.590 6.596 4.492 1.00 1.47 C ATOM 184 NE ARG A 11 -5.529 7.920 5.170 1.00 2.22 N ATOM 185 CZ ARG A 11 -6.031 8.064 6.367 1.00 2.75 C ATOM 186 NH1 ARG A 11 -7.285 8.393 6.513 1.00 3.12 N ATOM 187 NH2 ARG A 11 -5.278 7.878 7.416 1.00 3.41 N ATOM 188 H ARG A 11 -2.681 3.222 3.708 1.00 0.63 H ATOM 189 HA ARG A 11 -5.068 4.599 3.019 1.00 0.85 H ATOM 190 HB2 ARG A 11 -2.511 5.073 4.344 1.00 1.07 H ATOM 191 HB3 ARG A 11 -3.087 6.515 3.507 1.00 1.01 H ATOM 192 HG2 ARG A 11 -4.743 4.863 5.437 1.00 2.02 H ATOM 193 HG3 ARG A 11 -3.938 6.380 5.844 1.00 2.16 H ATOM 194 HD2 ARG A 11 -5.492 6.714 3.421 1.00 1.71 H ATOM 195 HD3 ARG A 11 -6.516 6.099 4.734 1.00 1.76 H ATOM 196 HE ARG A 11 -5.113 8.684 4.719 1.00 2.72 H ATOM 197 HH11 ARG A 11 -7.862 8.535 5.709 1.00 3.06 H ATOM 198 HH12 ARG A 11 -7.669 8.503 7.430 1.00 3.76 H ATOM 199 HH21 ARG A 11 -4.316 7.626 7.304 1.00 3.51 H ATOM 200 HH22 ARG A 11 -5.662 7.988 8.333 1.00 4.05 H ATOM 201 N HIS A 12 -2.511 5.169 1.003 1.00 0.82 N ATOM 202 CA HIS A 12 -2.176 5.711 -0.344 1.00 0.98 C ATOM 203 C HIS A 12 -1.939 4.561 -1.327 1.00 0.96 C ATOM 204 O HIS A 12 -2.492 3.489 -1.186 1.00 1.84 O ATOM 205 CB HIS A 12 -0.891 6.515 -0.139 1.00 1.41 C ATOM 206 CG HIS A 12 -1.097 7.923 -0.627 1.00 1.74 C ATOM 207 ND1 HIS A 12 -1.577 8.203 -1.896 1.00 2.50 N ATOM 208 CD2 HIS A 12 -0.892 9.141 -0.027 1.00 2.12 C ATOM 209 CE1 HIS A 12 -1.644 9.541 -2.019 1.00 2.79 C ATOM 210 NE2 HIS A 12 -1.237 10.161 -0.908 1.00 2.58 N ATOM 211 H HIS A 12 -1.817 4.737 1.543 1.00 0.94 H ATOM 212 HA HIS A 12 -2.963 6.356 -0.699 1.00 1.21 H ATOM 213 HB2 HIS A 12 -0.641 6.531 0.912 1.00 1.57 H ATOM 214 HB3 HIS A 12 -0.086 6.057 -0.693 1.00 1.74 H ATOM 215 HD1 HIS A 12 -1.823 7.546 -2.581 1.00 3.05 H ATOM 216 HD2 HIS A 12 -0.518 9.285 0.976 1.00 2.54 H ATOM 217 HE1 HIS A 12 -1.984 10.052 -2.907 1.00 3.46 H ATOM 218 N ASN A 13 -1.121 4.775 -2.322 1.00 1.02 N ATOM 219 CA ASN A 13 -0.850 3.692 -3.312 1.00 1.22 C ATOM 220 C ASN A 13 -0.054 4.243 -4.498 1.00 1.31 C ATOM 221 O ASN A 13 -0.567 4.988 -5.310 1.00 1.95 O ATOM 222 CB ASN A 13 -2.230 3.215 -3.769 1.00 1.81 C ATOM 223 CG ASN A 13 -2.405 1.738 -3.410 1.00 2.41 C ATOM 224 OD1 ASN A 13 -1.475 0.963 -3.512 1.00 3.02 O ATOM 225 ND2 ASN A 13 -3.566 1.313 -2.992 1.00 2.93 N ATOM 226 H ASN A 13 -0.685 5.647 -2.417 1.00 1.65 H ATOM 227 HA ASN A 13 -0.317 2.880 -2.844 1.00 1.39 H ATOM 228 HB2 ASN A 13 -2.994 3.799 -3.276 1.00 2.06 H ATOM 229 HB3 ASN A 13 -2.317 3.337 -4.838 1.00 2.33 H ATOM 230 HD21 ASN A 13 -4.316 1.938 -2.910 1.00 3.01 H ATOM 231 HD22 ASN A 13 -3.687 0.369 -2.760 1.00 3.57 H ATOM 232 N GLY A 14 1.196 3.882 -4.605 1.00 1.00 N ATOM 233 CA GLY A 14 2.021 4.384 -5.740 1.00 1.43 C ATOM 234 C GLY A 14 3.054 5.387 -5.223 1.00 1.06 C ATOM 235 O GLY A 14 2.749 6.539 -4.986 1.00 1.28 O ATOM 236 H GLY A 14 1.591 3.279 -3.941 1.00 0.86 H ATOM 237 HA2 GLY A 14 2.529 3.553 -6.210 1.00 1.86 H ATOM 238 HA3 GLY A 14 1.383 4.870 -6.462 1.00 1.82 H ATOM 239 N GLY A 15 4.275 4.961 -5.049 1.00 0.64 N ATOM 240 CA GLY A 15 5.327 5.892 -4.550 1.00 0.44 C ATOM 241 C GLY A 15 6.697 5.219 -4.656 1.00 0.39 C ATOM 242 O GLY A 15 6.857 4.061 -4.325 1.00 0.44 O ATOM 243 H GLY A 15 4.501 4.028 -5.247 1.00 0.68 H ATOM 244 HA2 GLY A 15 5.319 6.794 -5.145 1.00 0.53 H ATOM 245 HA3 GLY A 15 5.130 6.138 -3.518 1.00 0.58 H ATOM 246 N LYS A 16 7.688 5.936 -5.112 1.00 0.40 N ATOM 247 CA LYS A 16 9.046 5.332 -5.233 1.00 0.41 C ATOM 248 C LYS A 16 9.509 4.816 -3.870 1.00 0.37 C ATOM 249 O LYS A 16 8.909 5.103 -2.854 1.00 0.44 O ATOM 250 CB LYS A 16 9.944 6.473 -5.710 1.00 0.51 C ATOM 251 CG LYS A 16 9.655 6.768 -7.183 1.00 1.13 C ATOM 252 CD LYS A 16 10.815 7.566 -7.779 1.00 1.65 C ATOM 253 CE LYS A 16 10.548 9.063 -7.609 1.00 2.25 C ATOM 254 NZ LYS A 16 11.827 9.626 -7.096 1.00 3.03 N ATOM 255 H LYS A 16 7.541 6.869 -5.371 1.00 0.46 H ATOM 256 HA LYS A 16 9.042 4.535 -5.960 1.00 0.44 H ATOM 257 HB2 LYS A 16 9.747 7.356 -5.119 1.00 1.16 H ATOM 258 HB3 LYS A 16 10.979 6.188 -5.598 1.00 1.10 H ATOM 259 HG2 LYS A 16 9.542 5.838 -7.721 1.00 1.83 H ATOM 260 HG3 LYS A 16 8.746 7.345 -7.264 1.00 1.73 H ATOM 261 HD2 LYS A 16 11.730 7.303 -7.269 1.00 1.98 H ATOM 262 HD3 LYS A 16 10.909 7.336 -8.829 1.00 2.21 H ATOM 263 HE2 LYS A 16 10.292 9.508 -8.561 1.00 2.54 H ATOM 264 HE3 LYS A 16 9.758 9.226 -6.892 1.00 2.61 H ATOM 265 HZ1 LYS A 16 12.582 9.462 -7.791 1.00 3.40 H ATOM 266 HZ2 LYS A 16 12.074 9.162 -6.198 1.00 3.33 H ATOM 267 HZ3 LYS A 16 11.719 10.648 -6.940 1.00 3.49 H ATOM 268 N THR A 17 10.572 4.060 -3.833 1.00 0.37 N ATOM 269 CA THR A 17 11.059 3.540 -2.527 1.00 0.38 C ATOM 270 C THR A 17 11.497 4.715 -1.643 1.00 0.34 C ATOM 271 O THR A 17 10.963 4.929 -0.573 1.00 0.31 O ATOM 272 CB THR A 17 12.228 2.602 -2.889 1.00 0.49 C ATOM 273 OG1 THR A 17 11.876 1.269 -2.546 1.00 1.23 O ATOM 274 CG2 THR A 17 13.507 2.992 -2.140 1.00 0.79 C ATOM 275 H THR A 17 11.052 3.840 -4.659 1.00 0.45 H ATOM 276 HA THR A 17 10.278 2.979 -2.038 1.00 0.42 H ATOM 277 HB THR A 17 12.410 2.656 -3.951 1.00 1.08 H ATOM 278 HG1 THR A 17 12.684 0.754 -2.490 1.00 1.75 H ATOM 279 HG21 THR A 17 13.973 3.827 -2.641 1.00 1.52 H ATOM 280 HG22 THR A 17 14.187 2.154 -2.127 1.00 1.34 H ATOM 281 HG23 THR A 17 13.259 3.272 -1.127 1.00 1.39 H ATOM 282 N ALA A 18 12.459 5.481 -2.083 1.00 0.41 N ATOM 283 CA ALA A 18 12.910 6.639 -1.261 1.00 0.45 C ATOM 284 C ALA A 18 11.738 7.576 -1.020 1.00 0.38 C ATOM 285 O ALA A 18 11.723 8.355 -0.087 1.00 0.38 O ATOM 286 CB ALA A 18 14.005 7.323 -2.079 1.00 0.58 C ATOM 287 H ALA A 18 12.876 5.301 -2.951 1.00 0.48 H ATOM 288 HA ALA A 18 13.297 6.295 -0.325 1.00 0.47 H ATOM 289 HB1 ALA A 18 13.609 7.608 -3.043 1.00 1.27 H ATOM 290 HB2 ALA A 18 14.831 6.641 -2.217 1.00 1.03 H ATOM 291 HB3 ALA A 18 14.348 8.204 -1.557 1.00 1.19 H ATOM 292 N GLU A 19 10.742 7.478 -1.841 1.00 0.38 N ATOM 293 CA GLU A 19 9.540 8.330 -1.656 1.00 0.37 C ATOM 294 C GLU A 19 8.683 7.697 -0.572 1.00 0.30 C ATOM 295 O GLU A 19 8.141 8.365 0.286 1.00 0.31 O ATOM 296 CB GLU A 19 8.819 8.323 -3.004 1.00 0.44 C ATOM 297 CG GLU A 19 9.458 9.358 -3.932 1.00 0.97 C ATOM 298 CD GLU A 19 8.958 10.755 -3.560 1.00 1.13 C ATOM 299 OE1 GLU A 19 7.954 10.840 -2.871 1.00 1.68 O ATOM 300 OE2 GLU A 19 9.586 11.717 -3.970 1.00 1.56 O ATOM 301 H GLU A 19 10.778 6.820 -2.561 1.00 0.42 H ATOM 302 HA GLU A 19 9.823 9.332 -1.378 1.00 0.41 H ATOM 303 HB2 GLU A 19 8.898 7.342 -3.449 1.00 0.86 H ATOM 304 HB3 GLU A 19 7.778 8.569 -2.857 1.00 0.78 H ATOM 305 HG2 GLU A 19 10.533 9.320 -3.827 1.00 1.44 H ATOM 306 HG3 GLU A 19 9.187 9.142 -4.954 1.00 1.43 H ATOM 307 N ILE A 20 8.595 6.398 -0.586 1.00 0.28 N ATOM 308 CA ILE A 20 7.818 5.701 0.464 1.00 0.26 C ATOM 309 C ILE A 20 8.499 5.967 1.805 1.00 0.24 C ATOM 310 O ILE A 20 7.857 6.174 2.817 1.00 0.24 O ATOM 311 CB ILE A 20 7.894 4.220 0.090 1.00 0.30 C ATOM 312 CG1 ILE A 20 7.063 3.971 -1.171 1.00 0.34 C ATOM 313 CG2 ILE A 20 7.344 3.369 1.235 1.00 0.36 C ATOM 314 CD1 ILE A 20 7.624 2.763 -1.923 1.00 0.51 C ATOM 315 H ILE A 20 9.068 5.881 -1.271 1.00 0.31 H ATOM 316 HA ILE A 20 6.794 6.039 0.475 1.00 0.29 H ATOM 317 HB ILE A 20 8.925 3.950 -0.098 1.00 0.33 H ATOM 318 HG12 ILE A 20 6.037 3.777 -0.893 1.00 0.50 H ATOM 319 HG13 ILE A 20 7.104 4.841 -1.810 1.00 0.54 H ATOM 320 HG21 ILE A 20 6.863 2.491 0.829 1.00 1.07 H ATOM 321 HG22 ILE A 20 6.626 3.946 1.799 1.00 1.09 H ATOM 322 HG23 ILE A 20 8.155 3.069 1.882 1.00 1.10 H ATOM 323 HD11 ILE A 20 6.852 2.334 -2.544 1.00 1.10 H ATOM 324 HD12 ILE A 20 7.966 2.025 -1.213 1.00 1.12 H ATOM 325 HD13 ILE A 20 8.451 3.077 -2.542 1.00 1.22 H ATOM 326 N ALA A 21 9.808 5.989 1.808 1.00 0.27 N ATOM 327 CA ALA A 21 10.545 6.271 3.067 1.00 0.30 C ATOM 328 C ALA A 21 10.186 7.669 3.566 1.00 0.30 C ATOM 329 O ALA A 21 9.958 7.880 4.739 1.00 0.35 O ATOM 330 CB ALA A 21 12.024 6.198 2.693 1.00 0.39 C ATOM 331 H ALA A 21 10.306 5.842 0.972 1.00 0.29 H ATOM 332 HA ALA A 21 10.315 5.529 3.816 1.00 0.31 H ATOM 333 HB1 ALA A 21 12.253 5.212 2.318 1.00 1.11 H ATOM 334 HB2 ALA A 21 12.625 6.401 3.567 1.00 0.98 H ATOM 335 HB3 ALA A 21 12.239 6.932 1.930 1.00 1.14 H ATOM 336 N GLU A 22 10.131 8.630 2.680 1.00 0.32 N ATOM 337 CA GLU A 22 9.782 10.013 3.109 1.00 0.38 C ATOM 338 C GLU A 22 8.408 10.014 3.779 1.00 0.34 C ATOM 339 O GLU A 22 8.172 10.727 4.734 1.00 0.43 O ATOM 340 CB GLU A 22 9.755 10.836 1.820 1.00 0.47 C ATOM 341 CG GLU A 22 10.632 12.078 1.988 1.00 1.10 C ATOM 342 CD GLU A 22 10.186 13.156 0.998 1.00 1.46 C ATOM 343 OE1 GLU A 22 9.966 12.820 -0.154 1.00 1.73 O ATOM 344 OE2 GLU A 22 10.071 14.299 1.409 1.00 2.22 O ATOM 345 H GLU A 22 10.316 8.440 1.733 1.00 0.34 H ATOM 346 HA GLU A 22 10.531 10.400 3.781 1.00 0.42 H ATOM 347 HB2 GLU A 22 10.130 10.237 1.003 1.00 0.68 H ATOM 348 HB3 GLU A 22 8.741 11.140 1.609 1.00 0.66 H ATOM 349 HG2 GLU A 22 10.536 12.453 2.997 1.00 1.65 H ATOM 350 HG3 GLU A 22 11.662 11.820 1.796 1.00 1.46 H ATOM 351 N ALA A 23 7.502 9.214 3.289 1.00 0.31 N ATOM 352 CA ALA A 23 6.147 9.161 3.902 1.00 0.38 C ATOM 353 C ALA A 23 6.250 8.674 5.348 1.00 0.34 C ATOM 354 O ALA A 23 5.607 9.196 6.237 1.00 0.42 O ATOM 355 CB ALA A 23 5.365 8.160 3.052 1.00 0.42 C ATOM 356 H ALA A 23 7.716 8.643 2.521 1.00 0.32 H ATOM 357 HA ALA A 23 5.675 10.130 3.861 1.00 0.47 H ATOM 358 HB1 ALA A 23 6.050 7.601 2.432 1.00 1.16 H ATOM 359 HB2 ALA A 23 4.663 8.690 2.425 1.00 1.11 H ATOM 360 HB3 ALA A 23 4.828 7.481 3.698 1.00 1.03 H ATOM 361 N LEU A 24 7.057 7.677 5.591 1.00 0.26 N ATOM 362 CA LEU A 24 7.202 7.160 6.982 1.00 0.32 C ATOM 363 C LEU A 24 8.360 7.869 7.690 1.00 0.32 C ATOM 364 O LEU A 24 8.477 7.834 8.899 1.00 0.39 O ATOM 365 CB LEU A 24 7.500 5.669 6.820 1.00 0.38 C ATOM 366 CG LEU A 24 6.555 5.069 5.778 1.00 0.40 C ATOM 367 CD1 LEU A 24 6.921 3.604 5.540 1.00 0.60 C ATOM 368 CD2 LEU A 24 5.115 5.158 6.288 1.00 0.61 C ATOM 369 H LEU A 24 7.571 7.267 4.859 1.00 0.22 H ATOM 370 HA LEU A 24 6.284 7.295 7.532 1.00 0.40 H ATOM 371 HB2 LEU A 24 8.523 5.541 6.496 1.00 0.38 H ATOM 372 HB3 LEU A 24 7.355 5.168 7.765 1.00 0.49 H ATOM 373 HG LEU A 24 6.647 5.618 4.852 1.00 0.32 H ATOM 374 HD11 LEU A 24 7.974 3.460 5.735 1.00 1.16 H ATOM 375 HD12 LEU A 24 6.705 3.341 4.515 1.00 1.15 H ATOM 376 HD13 LEU A 24 6.343 2.977 6.203 1.00 1.31 H ATOM 377 HD21 LEU A 24 5.077 5.810 7.148 1.00 1.25 H ATOM 378 HD22 LEU A 24 4.771 4.173 6.567 1.00 1.13 H ATOM 379 HD23 LEU A 24 4.481 5.553 5.508 1.00 1.23 H ATOM 380 N ALA A 25 9.219 8.511 6.945 1.00 0.30 N ATOM 381 CA ALA A 25 10.371 9.219 7.571 1.00 0.39 C ATOM 382 C ALA A 25 11.153 8.261 8.469 1.00 0.49 C ATOM 383 O ALA A 25 11.866 8.672 9.363 1.00 0.63 O ATOM 384 CB ALA A 25 9.748 10.346 8.396 1.00 0.52 C ATOM 385 H ALA A 25 9.107 8.525 5.971 1.00 0.26 H ATOM 386 HA ALA A 25 11.018 9.630 6.811 1.00 0.37 H ATOM 387 HB1 ALA A 25 10.450 11.162 8.478 1.00 1.14 H ATOM 388 HB2 ALA A 25 9.507 9.978 9.383 1.00 0.97 H ATOM 389 HB3 ALA A 25 8.848 10.692 7.911 1.00 1.23 H ATOM 390 N VAL A 26 11.033 6.986 8.231 1.00 0.48 N ATOM 391 CA VAL A 26 11.778 6.000 9.062 1.00 0.64 C ATOM 392 C VAL A 26 13.180 5.802 8.482 1.00 0.57 C ATOM 393 O VAL A 26 13.827 6.745 8.073 1.00 1.03 O ATOM 394 CB VAL A 26 10.968 4.707 8.969 1.00 0.73 C ATOM 395 CG1 VAL A 26 9.562 4.942 9.525 1.00 1.33 C ATOM 396 CG2 VAL A 26 10.872 4.269 7.505 1.00 0.86 C ATOM 397 H VAL A 26 10.460 6.676 7.498 1.00 0.43 H ATOM 398 HA VAL A 26 11.834 6.332 10.087 1.00 0.82 H ATOM 399 HB VAL A 26 11.457 3.937 9.546 1.00 1.26 H ATOM 400 HG11 VAL A 26 9.166 5.862 9.123 1.00 1.78 H ATOM 401 HG12 VAL A 26 9.608 5.009 10.602 1.00 1.81 H ATOM 402 HG13 VAL A 26 8.922 4.120 9.242 1.00 1.90 H ATOM 403 HG21 VAL A 26 9.837 4.100 7.247 1.00 1.35 H ATOM 404 HG22 VAL A 26 11.430 3.355 7.367 1.00 1.45 H ATOM 405 HG23 VAL A 26 11.282 5.040 6.870 1.00 1.40 H ATOM 406 N THR A 27 13.650 4.588 8.427 1.00 0.70 N ATOM 407 CA THR A 27 15.000 4.349 7.856 1.00 0.67 C ATOM 408 C THR A 27 14.869 4.019 6.370 1.00 0.57 C ATOM 409 O THR A 27 14.908 2.871 5.980 1.00 0.52 O ATOM 410 CB THR A 27 15.557 3.152 8.625 1.00 0.72 C ATOM 411 OG1 THR A 27 14.484 2.330 9.062 1.00 0.85 O ATOM 412 CG2 THR A 27 16.353 3.644 9.834 1.00 1.03 C ATOM 413 H THR A 27 13.115 3.834 8.749 1.00 1.15 H ATOM 414 HA THR A 27 15.632 5.211 8.000 1.00 0.75 H ATOM 415 HB THR A 27 16.207 2.583 7.979 1.00 0.65 H ATOM 416 HG1 THR A 27 14.725 1.954 9.912 1.00 1.12 H ATOM 417 HG21 THR A 27 17.008 2.858 10.179 1.00 1.56 H ATOM 418 HG22 THR A 27 15.672 3.918 10.626 1.00 1.52 H ATOM 419 HG23 THR A 27 16.941 4.505 9.552 1.00 1.45 H ATOM 420 N ASP A 28 14.697 5.024 5.549 1.00 0.59 N ATOM 421 CA ASP A 28 14.547 4.793 4.077 1.00 0.59 C ATOM 422 C ASP A 28 15.368 3.580 3.631 1.00 0.49 C ATOM 423 O ASP A 28 14.894 2.735 2.898 1.00 0.46 O ATOM 424 CB ASP A 28 15.076 6.067 3.419 1.00 0.68 C ATOM 425 CG ASP A 28 16.503 6.336 3.900 1.00 1.38 C ATOM 426 OD1 ASP A 28 16.651 6.997 4.915 1.00 2.02 O ATOM 427 OD2 ASP A 28 17.424 5.877 3.245 1.00 2.18 O ATOM 428 H ASP A 28 14.654 5.937 5.905 1.00 0.65 H ATOM 429 HA ASP A 28 13.508 4.654 3.824 1.00 0.67 H ATOM 430 HB2 ASP A 28 15.073 5.945 2.345 1.00 1.17 H ATOM 431 HB3 ASP A 28 14.445 6.901 3.689 1.00 1.12 H ATOM 432 N TYR A 29 16.590 3.478 4.078 1.00 0.48 N ATOM 433 CA TYR A 29 17.425 2.308 3.686 1.00 0.44 C ATOM 434 C TYR A 29 16.754 1.019 4.166 1.00 0.40 C ATOM 435 O TYR A 29 16.626 0.062 3.428 1.00 0.40 O ATOM 436 CB TYR A 29 18.764 2.518 4.394 1.00 0.50 C ATOM 437 CG TYR A 29 19.889 2.092 3.481 1.00 0.80 C ATOM 438 CD1 TYR A 29 20.291 0.751 3.444 1.00 1.46 C ATOM 439 CD2 TYR A 29 20.530 3.038 2.672 1.00 1.08 C ATOM 440 CE1 TYR A 29 21.335 0.357 2.599 1.00 2.06 C ATOM 441 CE2 TYR A 29 21.574 2.643 1.827 1.00 1.59 C ATOM 442 CZ TYR A 29 21.976 1.302 1.790 1.00 2.02 C ATOM 443 OH TYR A 29 23.005 0.913 0.957 1.00 2.66 O ATOM 444 H TYR A 29 16.953 4.164 4.677 1.00 0.54 H ATOM 445 HA TYR A 29 17.567 2.285 2.616 1.00 0.46 H ATOM 446 HB2 TYR A 29 18.878 3.562 4.644 1.00 0.84 H ATOM 447 HB3 TYR A 29 18.790 1.926 5.296 1.00 0.74 H ATOM 448 HD1 TYR A 29 19.796 0.022 4.068 1.00 1.68 H ATOM 449 HD2 TYR A 29 20.220 4.072 2.701 1.00 1.29 H ATOM 450 HE1 TYR A 29 21.645 -0.678 2.570 1.00 2.66 H ATOM 451 HE2 TYR A 29 22.069 3.372 1.203 1.00 1.88 H ATOM 452 HH TYR A 29 22.622 0.639 0.120 1.00 2.93 H ATOM 453 N GLN A 30 16.315 0.992 5.395 1.00 0.42 N ATOM 454 CA GLN A 30 15.642 -0.229 5.918 1.00 0.43 C ATOM 455 C GLN A 30 14.243 -0.338 5.325 1.00 0.37 C ATOM 456 O GLN A 30 13.732 -1.414 5.082 1.00 0.39 O ATOM 457 CB GLN A 30 15.577 -0.038 7.434 1.00 0.54 C ATOM 458 CG GLN A 30 16.949 -0.330 8.045 1.00 1.15 C ATOM 459 CD GLN A 30 16.769 -0.907 9.451 1.00 1.49 C ATOM 460 OE1 GLN A 30 15.670 -0.954 9.965 1.00 2.09 O ATOM 461 NE2 GLN A 30 17.812 -1.352 10.098 1.00 1.95 N ATOM 462 H GLN A 30 16.421 1.778 5.971 1.00 0.46 H ATOM 463 HA GLN A 30 16.211 -1.097 5.678 1.00 0.45 H ATOM 464 HB2 GLN A 30 15.292 0.980 7.656 1.00 0.96 H ATOM 465 HB3 GLN A 30 14.848 -0.716 7.852 1.00 0.79 H ATOM 466 HG2 GLN A 30 17.474 -1.043 7.426 1.00 1.59 H ATOM 467 HG3 GLN A 30 17.519 0.585 8.104 1.00 1.61 H ATOM 468 HE21 GLN A 30 18.699 -1.315 9.684 1.00 2.35 H ATOM 469 HE22 GLN A 30 17.707 -1.724 10.999 1.00 2.28 H ATOM 470 N ALA A 31 13.633 0.777 5.081 1.00 0.35 N ATOM 471 CA ALA A 31 12.266 0.770 4.484 1.00 0.32 C ATOM 472 C ALA A 31 12.311 0.064 3.128 1.00 0.29 C ATOM 473 O ALA A 31 11.559 -0.852 2.865 1.00 0.29 O ATOM 474 CB ALA A 31 11.892 2.245 4.317 1.00 0.34 C ATOM 475 H ALA A 31 14.083 1.619 5.280 1.00 0.39 H ATOM 476 HA ALA A 31 11.567 0.280 5.145 1.00 0.34 H ATOM 477 HB1 ALA A 31 11.873 2.495 3.266 1.00 0.97 H ATOM 478 HB2 ALA A 31 12.621 2.862 4.820 1.00 1.15 H ATOM 479 HB3 ALA A 31 10.915 2.421 4.745 1.00 1.05 H ATOM 480 N ARG A 32 13.200 0.478 2.268 1.00 0.31 N ATOM 481 CA ARG A 32 13.309 -0.176 0.934 1.00 0.34 C ATOM 482 C ARG A 32 13.614 -1.669 1.105 1.00 0.31 C ATOM 483 O ARG A 32 12.996 -2.518 0.490 1.00 0.34 O ATOM 484 CB ARG A 32 14.473 0.535 0.242 1.00 0.41 C ATOM 485 CG ARG A 32 14.778 -0.156 -1.089 1.00 0.59 C ATOM 486 CD ARG A 32 15.851 -1.226 -0.876 1.00 1.00 C ATOM 487 NE ARG A 32 16.342 -1.553 -2.243 1.00 1.42 N ATOM 488 CZ ARG A 32 17.612 -1.441 -2.525 1.00 1.72 C ATOM 489 NH1 ARG A 32 18.216 -0.295 -2.372 1.00 2.23 N ATOM 490 NH2 ARG A 32 18.277 -2.477 -2.959 1.00 2.24 N ATOM 491 H ARG A 32 13.803 1.213 2.503 1.00 0.33 H ATOM 492 HA ARG A 32 12.401 -0.037 0.368 1.00 0.37 H ATOM 493 HB2 ARG A 32 14.206 1.567 0.059 1.00 0.51 H ATOM 494 HB3 ARG A 32 15.348 0.497 0.875 1.00 0.43 H ATOM 495 HG2 ARG A 32 13.878 -0.618 -1.469 1.00 1.21 H ATOM 496 HG3 ARG A 32 15.137 0.573 -1.799 1.00 1.39 H ATOM 497 HD2 ARG A 32 16.655 -0.835 -0.267 1.00 1.51 H ATOM 498 HD3 ARG A 32 15.422 -2.104 -0.418 1.00 1.49 H ATOM 499 HE ARG A 32 15.713 -1.851 -2.932 1.00 1.97 H ATOM 500 HH11 ARG A 32 17.706 0.499 -2.040 1.00 2.41 H ATOM 501 HH12 ARG A 32 19.189 -0.209 -2.588 1.00 2.76 H ATOM 502 HH21 ARG A 32 17.815 -3.355 -3.076 1.00 2.43 H ATOM 503 HH22 ARG A 32 19.250 -2.391 -3.175 1.00 2.76 H ATOM 504 N TYR A 33 14.570 -1.992 1.936 1.00 0.33 N ATOM 505 CA TYR A 33 14.927 -3.425 2.149 1.00 0.34 C ATOM 506 C TYR A 33 13.712 -4.216 2.620 1.00 0.28 C ATOM 507 O TYR A 33 13.635 -5.419 2.463 1.00 0.26 O ATOM 508 CB TYR A 33 16.014 -3.409 3.224 1.00 0.42 C ATOM 509 CG TYR A 33 16.717 -4.745 3.250 1.00 0.60 C ATOM 510 CD1 TYR A 33 17.701 -5.036 2.298 1.00 0.83 C ATOM 511 CD2 TYR A 33 16.385 -5.692 4.226 1.00 0.87 C ATOM 512 CE1 TYR A 33 18.354 -6.275 2.322 1.00 1.08 C ATOM 513 CE2 TYR A 33 17.037 -6.930 4.250 1.00 1.10 C ATOM 514 CZ TYR A 33 18.022 -7.222 3.298 1.00 1.13 C ATOM 515 OH TYR A 33 18.665 -8.443 3.322 1.00 1.41 O ATOM 516 H TYR A 33 15.057 -1.290 2.418 1.00 0.37 H ATOM 517 HA TYR A 33 15.309 -3.846 1.245 1.00 0.39 H ATOM 518 HB2 TYR A 33 16.728 -2.630 3.002 1.00 0.50 H ATOM 519 HB3 TYR A 33 15.564 -3.222 4.188 1.00 0.46 H ATOM 520 HD1 TYR A 33 17.957 -4.306 1.545 1.00 0.98 H ATOM 521 HD2 TYR A 33 15.626 -5.467 4.960 1.00 1.04 H ATOM 522 HE1 TYR A 33 19.113 -6.500 1.588 1.00 1.34 H ATOM 523 HE2 TYR A 33 16.781 -7.661 5.004 1.00 1.36 H ATOM 524 HH TYR A 33 18.165 -9.030 3.895 1.00 1.73 H ATOM 525 N TYR A 34 12.762 -3.545 3.188 1.00 0.28 N ATOM 526 CA TYR A 34 11.537 -4.246 3.668 1.00 0.26 C ATOM 527 C TYR A 34 10.637 -4.578 2.477 1.00 0.22 C ATOM 528 O TYR A 34 10.255 -5.713 2.273 1.00 0.24 O ATOM 529 CB TYR A 34 10.849 -3.260 4.613 1.00 0.30 C ATOM 530 CG TYR A 34 11.314 -3.511 6.027 1.00 0.37 C ATOM 531 CD1 TYR A 34 12.679 -3.660 6.298 1.00 0.82 C ATOM 532 CD2 TYR A 34 10.381 -3.595 7.066 1.00 0.94 C ATOM 533 CE1 TYR A 34 13.111 -3.893 7.609 1.00 0.86 C ATOM 534 CE2 TYR A 34 10.813 -3.828 8.378 1.00 1.04 C ATOM 535 CZ TYR A 34 12.178 -3.976 8.649 1.00 0.65 C ATOM 536 OH TYR A 34 12.604 -4.206 9.941 1.00 0.80 O ATOM 537 H TYR A 34 12.854 -2.579 3.289 1.00 0.33 H ATOM 538 HA TYR A 34 11.803 -5.145 4.201 1.00 0.29 H ATOM 539 HB2 TYR A 34 11.100 -2.251 4.326 1.00 0.34 H ATOM 540 HB3 TYR A 34 9.779 -3.395 4.558 1.00 0.33 H ATOM 541 HD1 TYR A 34 13.399 -3.595 5.495 1.00 1.36 H ATOM 542 HD2 TYR A 34 9.328 -3.480 6.857 1.00 1.46 H ATOM 543 HE1 TYR A 34 14.165 -4.007 7.818 1.00 1.37 H ATOM 544 HE2 TYR A 34 10.092 -3.892 9.180 1.00 1.60 H ATOM 545 HH TYR A 34 13.389 -3.674 10.094 1.00 1.20 H ATOM 546 N LEU A 35 10.305 -3.599 1.680 1.00 0.23 N ATOM 547 CA LEU A 35 9.442 -3.867 0.496 1.00 0.26 C ATOM 548 C LEU A 35 9.975 -5.086 -0.260 1.00 0.26 C ATOM 549 O LEU A 35 9.223 -5.926 -0.715 1.00 0.30 O ATOM 550 CB LEU A 35 9.549 -2.611 -0.369 1.00 0.32 C ATOM 551 CG LEU A 35 9.029 -1.403 0.411 1.00 0.35 C ATOM 552 CD1 LEU A 35 9.774 -0.144 -0.038 1.00 0.60 C ATOM 553 CD2 LEU A 35 7.532 -1.231 0.142 1.00 0.61 C ATOM 554 H LEU A 35 10.629 -2.691 1.856 1.00 0.25 H ATOM 555 HA LEU A 35 8.419 -4.024 0.799 1.00 0.28 H ATOM 556 HB2 LEU A 35 10.583 -2.448 -0.639 1.00 0.37 H ATOM 557 HB3 LEU A 35 8.959 -2.739 -1.265 1.00 0.40 H ATOM 558 HG LEU A 35 9.191 -1.560 1.468 1.00 0.58 H ATOM 559 HD11 LEU A 35 9.063 0.643 -0.241 1.00 1.29 H ATOM 560 HD12 LEU A 35 10.337 -0.360 -0.935 1.00 1.12 H ATOM 561 HD13 LEU A 35 10.449 0.173 0.743 1.00 1.28 H ATOM 562 HD21 LEU A 35 7.132 -2.146 -0.268 1.00 1.18 H ATOM 563 HD22 LEU A 35 7.383 -0.425 -0.562 1.00 1.26 H ATOM 564 HD23 LEU A 35 7.024 -0.999 1.067 1.00 1.22 H ATOM 565 N LEU A 36 11.270 -5.189 -0.394 1.00 0.26 N ATOM 566 CA LEU A 36 11.856 -6.355 -1.116 1.00 0.30 C ATOM 567 C LEU A 36 11.536 -7.651 -0.369 1.00 0.31 C ATOM 568 O LEU A 36 10.941 -8.562 -0.910 1.00 0.38 O ATOM 569 CB LEU A 36 13.363 -6.103 -1.121 1.00 0.34 C ATOM 570 CG LEU A 36 13.669 -4.857 -1.951 1.00 0.39 C ATOM 571 CD1 LEU A 36 15.074 -4.353 -1.616 1.00 0.47 C ATOM 572 CD2 LEU A 36 13.594 -5.207 -3.438 1.00 0.47 C ATOM 573 H LEU A 36 11.858 -4.499 -0.016 1.00 0.28 H ATOM 574 HA LEU A 36 11.485 -6.399 -2.128 1.00 0.33 H ATOM 575 HB2 LEU A 36 13.706 -5.955 -0.107 1.00 0.34 H ATOM 576 HB3 LEU A 36 13.869 -6.953 -1.552 1.00 0.38 H ATOM 577 HG LEU A 36 12.947 -4.087 -1.722 1.00 0.44 H ATOM 578 HD11 LEU A 36 15.082 -3.945 -0.616 1.00 1.10 H ATOM 579 HD12 LEU A 36 15.359 -3.586 -2.321 1.00 1.09 H ATOM 580 HD13 LEU A 36 15.774 -5.174 -1.676 1.00 1.14 H ATOM 581 HD21 LEU A 36 14.225 -4.533 -3.999 1.00 1.13 H ATOM 582 HD22 LEU A 36 12.574 -5.113 -3.779 1.00 1.18 H ATOM 583 HD23 LEU A 36 13.931 -6.222 -3.587 1.00 1.09 H ATOM 584 N LEU A 37 11.929 -7.741 0.872 1.00 0.32 N ATOM 585 CA LEU A 37 11.651 -8.979 1.655 1.00 0.37 C ATOM 586 C LEU A 37 10.156 -9.306 1.613 1.00 0.36 C ATOM 587 O LEU A 37 9.764 -10.432 1.377 1.00 0.43 O ATOM 588 CB LEU A 37 12.088 -8.650 3.083 1.00 0.45 C ATOM 589 CG LEU A 37 13.598 -8.867 3.217 1.00 0.58 C ATOM 590 CD1 LEU A 37 14.247 -7.613 3.807 1.00 0.65 C ATOM 591 CD2 LEU A 37 13.862 -10.059 4.141 1.00 1.00 C ATOM 592 H LEU A 37 12.409 -6.993 1.289 1.00 0.34 H ATOM 593 HA LEU A 37 12.228 -9.805 1.273 1.00 0.42 H ATOM 594 HB2 LEU A 37 11.849 -7.620 3.304 1.00 0.41 H ATOM 595 HB3 LEU A 37 11.571 -9.296 3.776 1.00 0.56 H ATOM 596 HG LEU A 37 14.020 -9.065 2.242 1.00 0.90 H ATOM 597 HD11 LEU A 37 14.933 -7.899 4.591 1.00 1.29 H ATOM 598 HD12 LEU A 37 13.483 -6.969 4.215 1.00 1.30 H ATOM 599 HD13 LEU A 37 14.785 -7.088 3.032 1.00 1.17 H ATOM 600 HD21 LEU A 37 14.927 -10.188 4.265 1.00 1.67 H ATOM 601 HD22 LEU A 37 13.439 -10.952 3.706 1.00 1.36 H ATOM 602 HD23 LEU A 37 13.407 -9.877 5.103 1.00 1.46 H ATOM 603 N LEU A 38 9.318 -8.331 1.837 1.00 0.34 N ATOM 604 CA LEU A 38 7.850 -8.589 1.807 1.00 0.39 C ATOM 605 C LEU A 38 7.417 -9.001 0.398 1.00 0.35 C ATOM 606 O LEU A 38 6.618 -9.899 0.222 1.00 0.39 O ATOM 607 CB LEU A 38 7.207 -7.259 2.199 1.00 0.45 C ATOM 608 CG LEU A 38 7.814 -6.767 3.514 1.00 0.48 C ATOM 609 CD1 LEU A 38 8.013 -5.252 3.450 1.00 0.61 C ATOM 610 CD2 LEU A 38 6.869 -7.109 4.669 1.00 0.83 C ATOM 611 H LEU A 38 9.654 -7.429 2.024 1.00 0.36 H ATOM 612 HA LEU A 38 7.586 -9.351 2.522 1.00 0.45 H ATOM 613 HB2 LEU A 38 7.387 -6.530 1.422 1.00 0.46 H ATOM 614 HB3 LEU A 38 6.143 -7.397 2.325 1.00 0.57 H ATOM 615 HG LEU A 38 8.768 -7.249 3.672 1.00 0.70 H ATOM 616 HD11 LEU A 38 8.898 -4.982 4.007 1.00 1.23 H ATOM 617 HD12 LEU A 38 7.153 -4.758 3.877 1.00 1.21 H ATOM 618 HD13 LEU A 38 8.129 -4.947 2.421 1.00 1.28 H ATOM 619 HD21 LEU A 38 7.308 -6.783 5.600 1.00 1.38 H ATOM 620 HD22 LEU A 38 6.711 -8.177 4.700 1.00 1.31 H ATOM 621 HD23 LEU A 38 5.924 -6.609 4.521 1.00 1.41 H ATOM 622 N GLU A 39 7.940 -8.353 -0.607 1.00 0.36 N ATOM 623 CA GLU A 39 7.559 -8.712 -2.003 1.00 0.41 C ATOM 624 C GLU A 39 7.814 -10.200 -2.249 1.00 0.40 C ATOM 625 O GLU A 39 7.122 -10.842 -3.013 1.00 0.46 O ATOM 626 CB GLU A 39 8.463 -7.858 -2.893 1.00 0.50 C ATOM 627 CG GLU A 39 8.196 -8.191 -4.362 1.00 0.83 C ATOM 628 CD GLU A 39 9.525 -8.318 -5.107 1.00 1.09 C ATOM 629 OE1 GLU A 39 10.549 -8.036 -4.505 1.00 1.61 O ATOM 630 OE2 GLU A 39 9.498 -8.697 -6.266 1.00 1.81 O ATOM 631 H GLU A 39 8.584 -7.633 -0.444 1.00 0.38 H ATOM 632 HA GLU A 39 6.524 -8.470 -2.186 1.00 0.46 H ATOM 633 HB2 GLU A 39 8.256 -6.812 -2.716 1.00 0.80 H ATOM 634 HB3 GLU A 39 9.497 -8.065 -2.661 1.00 0.80 H ATOM 635 HG2 GLU A 39 7.655 -9.124 -4.426 1.00 1.39 H ATOM 636 HG3 GLU A 39 7.609 -7.403 -4.809 1.00 1.32 H ATOM 637 N LYS A 40 8.804 -10.755 -1.603 1.00 0.40 N ATOM 638 CA LYS A 40 9.102 -12.202 -1.798 1.00 0.46 C ATOM 639 C LYS A 40 7.954 -13.053 -1.251 1.00 0.46 C ATOM 640 O LYS A 40 7.682 -14.134 -1.737 1.00 0.55 O ATOM 641 CB LYS A 40 10.384 -12.454 -1.003 1.00 0.54 C ATOM 642 CG LYS A 40 11.514 -12.835 -1.961 1.00 1.17 C ATOM 643 CD LYS A 40 12.462 -11.647 -2.132 1.00 2.07 C ATOM 644 CE LYS A 40 13.865 -12.156 -2.472 1.00 2.73 C ATOM 645 NZ LYS A 40 14.766 -10.998 -2.219 1.00 3.42 N ATOM 646 H LYS A 40 9.350 -10.220 -0.989 1.00 0.40 H ATOM 647 HA LYS A 40 9.267 -12.417 -2.842 1.00 0.51 H ATOM 648 HB2 LYS A 40 10.655 -11.558 -0.464 1.00 0.92 H ATOM 649 HB3 LYS A 40 10.221 -13.260 -0.303 1.00 0.90 H ATOM 650 HG2 LYS A 40 12.059 -13.677 -1.559 1.00 1.52 H ATOM 651 HG3 LYS A 40 11.098 -13.101 -2.921 1.00 1.57 H ATOM 652 HD2 LYS A 40 12.105 -11.013 -2.931 1.00 2.31 H ATOM 653 HD3 LYS A 40 12.500 -11.081 -1.213 1.00 2.51 H ATOM 654 HE2 LYS A 40 14.127 -12.987 -1.831 1.00 3.00 H ATOM 655 HE3 LYS A 40 13.918 -12.447 -3.509 1.00 3.05 H ATOM 656 HZ1 LYS A 40 14.738 -10.750 -1.210 1.00 3.89 H ATOM 657 HZ2 LYS A 40 14.451 -10.184 -2.786 1.00 3.83 H ATOM 658 HZ3 LYS A 40 15.739 -11.251 -2.485 1.00 3.57 H ATOM 659 N ALA A 41 7.277 -12.573 -0.244 1.00 0.44 N ATOM 660 CA ALA A 41 6.145 -13.353 0.334 1.00 0.53 C ATOM 661 C ALA A 41 4.893 -13.189 -0.532 1.00 0.57 C ATOM 662 O ALA A 41 4.022 -14.036 -0.548 1.00 0.72 O ATOM 663 CB ALA A 41 5.920 -12.753 1.722 1.00 0.60 C ATOM 664 H ALA A 41 7.513 -11.699 0.132 1.00 0.44 H ATOM 665 HA ALA A 41 6.410 -14.395 0.422 1.00 0.60 H ATOM 666 HB1 ALA A 41 5.135 -12.013 1.671 1.00 1.23 H ATOM 667 HB2 ALA A 41 6.832 -12.287 2.065 1.00 1.22 H ATOM 668 HB3 ALA A 41 5.633 -13.535 2.410 1.00 1.06 H ATOM 669 N GLY A 42 4.796 -12.105 -1.252 1.00 0.58 N ATOM 670 CA GLY A 42 3.600 -11.888 -2.116 1.00 0.70 C ATOM 671 C GLY A 42 2.637 -10.921 -1.425 1.00 0.76 C ATOM 672 O GLY A 42 1.523 -10.720 -1.866 1.00 1.11 O ATOM 673 H GLY A 42 5.510 -11.434 -1.226 1.00 0.59 H ATOM 674 HA2 GLY A 42 3.912 -11.473 -3.064 1.00 0.68 H ATOM 675 HA3 GLY A 42 3.101 -12.831 -2.283 1.00 0.82 H ATOM 676 N MET A 43 3.056 -10.321 -0.344 1.00 0.62 N ATOM 677 CA MET A 43 2.162 -9.367 0.374 1.00 0.70 C ATOM 678 C MET A 43 2.299 -7.963 -0.222 1.00 0.63 C ATOM 679 O MET A 43 1.482 -7.095 0.011 1.00 0.73 O ATOM 680 CB MET A 43 2.646 -9.385 1.824 1.00 0.75 C ATOM 681 CG MET A 43 2.176 -10.672 2.504 1.00 0.99 C ATOM 682 SD MET A 43 0.891 -10.280 3.717 1.00 1.72 S ATOM 683 CE MET A 43 0.573 -11.974 4.268 1.00 2.43 C ATOM 684 H MET A 43 3.958 -10.497 -0.004 1.00 0.68 H ATOM 685 HA MET A 43 1.137 -9.700 0.323 1.00 0.83 H ATOM 686 HB2 MET A 43 3.726 -9.339 1.843 1.00 0.71 H ATOM 687 HB3 MET A 43 2.240 -8.534 2.350 1.00 0.89 H ATOM 688 HG2 MET A 43 1.777 -11.347 1.762 1.00 1.31 H ATOM 689 HG3 MET A 43 3.012 -11.140 3.004 1.00 1.27 H ATOM 690 HE1 MET A 43 -0.362 -12.005 4.811 1.00 2.87 H ATOM 691 HE2 MET A 43 1.372 -12.300 4.914 1.00 3.05 H ATOM 692 HE3 MET A 43 0.518 -12.627 3.408 1.00 2.64 H ATOM 693 N VAL A 44 3.329 -7.735 -0.991 1.00 0.51 N ATOM 694 CA VAL A 44 3.522 -6.390 -1.605 1.00 0.46 C ATOM 695 C VAL A 44 3.999 -6.537 -3.052 1.00 0.43 C ATOM 696 O VAL A 44 4.413 -7.598 -3.473 1.00 0.45 O ATOM 697 CB VAL A 44 4.594 -5.711 -0.750 1.00 0.45 C ATOM 698 CG1 VAL A 44 4.260 -5.896 0.731 1.00 0.58 C ATOM 699 CG2 VAL A 44 5.958 -6.340 -1.047 1.00 0.50 C ATOM 700 H VAL A 44 3.976 -8.450 -1.166 1.00 0.48 H ATOM 701 HA VAL A 44 2.606 -5.823 -1.565 1.00 0.50 H ATOM 702 HB VAL A 44 4.623 -4.656 -0.983 1.00 0.44 H ATOM 703 HG11 VAL A 44 3.251 -5.559 0.918 1.00 1.19 H ATOM 704 HG12 VAL A 44 4.949 -5.319 1.330 1.00 1.13 H ATOM 705 HG13 VAL A 44 4.345 -6.941 0.991 1.00 1.26 H ATOM 706 HG21 VAL A 44 6.731 -5.771 -0.552 1.00 1.24 H ATOM 707 HG22 VAL A 44 6.133 -6.334 -2.113 1.00 1.00 H ATOM 708 HG23 VAL A 44 5.972 -7.357 -0.685 1.00 1.13 H ATOM 709 N GLN A 45 3.943 -5.482 -3.817 1.00 0.41 N ATOM 710 CA GLN A 45 4.392 -5.568 -5.237 1.00 0.42 C ATOM 711 C GLN A 45 5.285 -4.375 -5.582 1.00 0.40 C ATOM 712 O GLN A 45 5.338 -3.397 -4.862 1.00 0.44 O ATOM 713 CB GLN A 45 3.106 -5.534 -6.063 1.00 0.50 C ATOM 714 CG GLN A 45 3.087 -6.725 -7.024 1.00 1.00 C ATOM 715 CD GLN A 45 2.108 -6.446 -8.166 1.00 1.20 C ATOM 716 OE1 GLN A 45 1.128 -5.751 -7.985 1.00 1.94 O ATOM 717 NE2 GLN A 45 2.332 -6.963 -9.343 1.00 1.66 N ATOM 718 H GLN A 45 3.604 -4.634 -3.461 1.00 0.43 H ATOM 719 HA GLN A 45 4.916 -6.495 -5.410 1.00 0.44 H ATOM 720 HB2 GLN A 45 2.252 -5.589 -5.403 1.00 0.70 H ATOM 721 HB3 GLN A 45 3.066 -4.616 -6.629 1.00 0.71 H ATOM 722 HG2 GLN A 45 4.078 -6.877 -7.428 1.00 1.65 H ATOM 723 HG3 GLN A 45 2.775 -7.611 -6.493 1.00 1.54 H ATOM 724 HE21 GLN A 45 3.122 -7.525 -9.489 1.00 2.06 H ATOM 725 HE22 GLN A 45 1.711 -6.791 -10.081 1.00 2.09 H ATOM 726 N ARG A 46 5.991 -4.448 -6.677 1.00 0.41 N ATOM 727 CA ARG A 46 6.885 -3.320 -7.066 1.00 0.43 C ATOM 728 C ARG A 46 6.847 -3.115 -8.582 1.00 0.51 C ATOM 729 O ARG A 46 6.546 -4.022 -9.333 1.00 0.59 O ATOM 730 CB ARG A 46 8.281 -3.752 -6.615 1.00 0.48 C ATOM 731 CG ARG A 46 9.336 -2.882 -7.303 1.00 1.00 C ATOM 732 CD ARG A 46 9.859 -3.603 -8.547 1.00 1.12 C ATOM 733 NE ARG A 46 11.041 -4.376 -8.074 1.00 1.03 N ATOM 734 CZ ARG A 46 11.404 -5.462 -8.700 1.00 1.30 C ATOM 735 NH1 ARG A 46 11.146 -5.600 -9.971 1.00 1.73 N ATOM 736 NH2 ARG A 46 12.025 -6.411 -8.054 1.00 1.77 N ATOM 737 H ARG A 46 5.936 -5.247 -7.243 1.00 0.45 H ATOM 738 HA ARG A 46 6.595 -2.416 -6.554 1.00 0.46 H ATOM 739 HB2 ARG A 46 8.363 -3.640 -5.544 1.00 0.82 H ATOM 740 HB3 ARG A 46 8.441 -4.786 -6.882 1.00 0.67 H ATOM 741 HG2 ARG A 46 8.893 -1.940 -7.590 1.00 1.85 H ATOM 742 HG3 ARG A 46 10.154 -2.703 -6.622 1.00 1.59 H ATOM 743 HD2 ARG A 46 9.103 -4.270 -8.940 1.00 1.72 H ATOM 744 HD3 ARG A 46 10.161 -2.889 -9.298 1.00 1.90 H ATOM 745 HE ARG A 46 11.545 -4.070 -7.292 1.00 1.47 H ATOM 746 HH11 ARG A 46 10.669 -4.873 -10.466 1.00 1.96 H ATOM 747 HH12 ARG A 46 11.424 -6.432 -10.451 1.00 2.13 H ATOM 748 HH21 ARG A 46 12.223 -6.305 -7.079 1.00 2.02 H ATOM 749 HH22 ARG A 46 12.304 -7.243 -8.533 1.00 2.17 H ATOM 750 N SER A 47 7.144 -1.929 -9.038 1.00 0.57 N ATOM 751 CA SER A 47 7.118 -1.669 -10.506 1.00 0.69 C ATOM 752 C SER A 47 8.501 -1.229 -10.998 1.00 0.72 C ATOM 753 O SER A 47 9.156 -0.421 -10.370 1.00 0.75 O ATOM 754 CB SER A 47 6.103 -0.542 -10.688 1.00 0.81 C ATOM 755 OG SER A 47 4.837 -1.099 -11.016 1.00 1.67 O ATOM 756 H SER A 47 7.381 -1.210 -8.417 1.00 0.60 H ATOM 757 HA SER A 47 6.790 -2.548 -11.037 1.00 0.87 H ATOM 758 HB2 SER A 47 6.017 0.019 -9.773 1.00 1.31 H ATOM 759 HB3 SER A 47 6.435 0.115 -11.481 1.00 1.26 H ATOM 760 HG SER A 47 4.709 -1.007 -11.963 1.00 2.08 H ATOM 761 N PRO A 48 8.890 -1.779 -12.117 1.00 0.97 N ATOM 762 CA PRO A 48 10.207 -1.448 -12.727 1.00 1.18 C ATOM 763 C PRO A 48 10.188 -0.018 -13.268 1.00 1.19 C ATOM 764 O PRO A 48 10.402 0.212 -14.442 1.00 1.43 O ATOM 765 CB PRO A 48 10.326 -2.445 -13.874 1.00 1.54 C ATOM 766 CG PRO A 48 8.913 -2.785 -14.211 1.00 1.55 C ATOM 767 CD PRO A 48 8.148 -2.753 -12.920 1.00 1.24 C ATOM 768 HA PRO A 48 11.009 -1.588 -12.021 1.00 1.27 H ATOM 769 HB2 PRO A 48 10.821 -1.988 -14.721 1.00 1.68 H ATOM 770 HB3 PRO A 48 10.855 -3.329 -13.556 1.00 1.75 H ATOM 771 HG2 PRO A 48 8.515 -2.047 -14.892 1.00 1.60 H ATOM 772 HG3 PRO A 48 8.858 -3.769 -14.647 1.00 1.85 H ATOM 773 HD2 PRO A 48 7.132 -2.421 -13.088 1.00 1.22 H ATOM 774 HD3 PRO A 48 8.163 -3.720 -12.441 1.00 1.37 H ATOM 775 N LEU A 49 9.920 0.932 -12.417 1.00 1.46 N ATOM 776 CA LEU A 49 9.866 2.360 -12.846 1.00 1.61 C ATOM 777 C LEU A 49 10.865 2.641 -13.971 1.00 1.75 C ATOM 778 O LEU A 49 12.023 2.921 -13.733 1.00 2.40 O ATOM 779 CB LEU A 49 10.240 3.154 -11.598 1.00 2.48 C ATOM 780 CG LEU A 49 10.167 4.643 -11.915 1.00 3.18 C ATOM 781 CD1 LEU A 49 9.726 5.415 -10.672 1.00 4.12 C ATOM 782 CD2 LEU A 49 11.545 5.136 -12.361 1.00 3.95 C ATOM 783 H LEU A 49 9.742 0.705 -11.487 1.00 1.82 H ATOM 784 HA LEU A 49 8.867 2.620 -13.157 1.00 1.80 H ATOM 785 HB2 LEU A 49 9.551 2.918 -10.799 1.00 2.98 H ATOM 786 HB3 LEU A 49 11.245 2.900 -11.296 1.00 2.71 H ATOM 787 HG LEU A 49 9.453 4.799 -12.708 1.00 3.05 H ATOM 788 HD11 LEU A 49 10.129 4.939 -9.790 1.00 4.52 H ATOM 789 HD12 LEU A 49 8.647 5.419 -10.616 1.00 4.52 H ATOM 790 HD13 LEU A 49 10.088 6.431 -10.731 1.00 4.45 H ATOM 791 HD21 LEU A 49 11.511 5.403 -13.406 1.00 4.17 H ATOM 792 HD22 LEU A 49 12.274 4.353 -12.212 1.00 4.37 H ATOM 793 HD23 LEU A 49 11.823 6.001 -11.778 1.00 4.35 H ATOM 794 N ARG A 50 10.421 2.574 -15.196 1.00 2.01 N ATOM 795 CA ARG A 50 11.339 2.846 -16.337 1.00 2.86 C ATOM 796 C ARG A 50 11.360 4.346 -16.644 1.00 3.28 C ATOM 797 O ARG A 50 11.898 4.779 -17.643 1.00 3.70 O ATOM 798 CB ARG A 50 10.753 2.064 -17.514 1.00 3.69 C ATOM 799 CG ARG A 50 9.398 2.659 -17.900 1.00 4.34 C ATOM 800 CD ARG A 50 8.324 1.570 -17.838 1.00 5.07 C ATOM 801 NE ARG A 50 7.309 1.973 -18.850 1.00 5.57 N ATOM 802 CZ ARG A 50 6.826 1.087 -19.678 1.00 6.01 C ATOM 803 NH1 ARG A 50 7.626 0.249 -20.276 1.00 6.49 N ATOM 804 NH2 ARG A 50 5.542 1.041 -19.907 1.00 6.22 N ATOM 805 H ARG A 50 9.481 2.351 -15.363 1.00 2.14 H ATOM 806 HA ARG A 50 12.332 2.492 -16.115 1.00 3.03 H ATOM 807 HB2 ARG A 50 11.427 2.124 -18.357 1.00 3.95 H ATOM 808 HB3 ARG A 50 10.623 1.030 -17.231 1.00 4.06 H ATOM 809 HG2 ARG A 50 9.146 3.454 -17.212 1.00 4.65 H ATOM 810 HG3 ARG A 50 9.450 3.053 -18.903 1.00 4.40 H ATOM 811 HD2 ARG A 50 8.751 0.609 -18.091 1.00 5.07 H ATOM 812 HD3 ARG A 50 7.876 1.538 -16.857 1.00 5.59 H ATOM 813 HE ARG A 50 7.004 2.903 -18.894 1.00 5.80 H ATOM 814 HH11 ARG A 50 8.610 0.284 -20.100 1.00 6.49 H ATOM 815 HH12 ARG A 50 7.256 -0.430 -20.910 1.00 7.00 H ATOM 816 HH21 ARG A 50 4.929 1.684 -19.448 1.00 6.04 H ATOM 817 HH22 ARG A 50 5.171 0.363 -20.541 1.00 6.71 H ATOM 818 N ARG A 51 10.777 5.139 -15.787 1.00 3.72 N ATOM 819 CA ARG A 51 10.760 6.612 -16.021 1.00 4.46 C ATOM 820 C ARG A 51 11.024 7.357 -14.710 1.00 4.43 C ATOM 821 O ARG A 51 10.140 7.968 -14.143 1.00 4.71 O ATOM 822 CB ARG A 51 9.354 6.916 -16.538 1.00 5.16 C ATOM 823 CG ARG A 51 9.445 7.543 -17.930 1.00 6.00 C ATOM 824 CD ARG A 51 10.336 8.785 -17.874 1.00 6.44 C ATOM 825 NE ARG A 51 9.519 9.872 -18.481 1.00 7.31 N ATOM 826 CZ ARG A 51 9.958 10.508 -19.533 1.00 8.00 C ATOM 827 NH1 ARG A 51 11.168 10.997 -19.543 1.00 8.31 N ATOM 828 NH2 ARG A 51 9.186 10.656 -20.575 1.00 8.57 N ATOM 829 H ARG A 51 10.351 4.766 -14.987 1.00 3.87 H ATOM 830 HA ARG A 51 11.493 6.884 -16.764 1.00 4.79 H ATOM 831 HB2 ARG A 51 8.784 5.999 -16.591 1.00 5.15 H ATOM 832 HB3 ARG A 51 8.864 7.605 -15.866 1.00 5.40 H ATOM 833 HG2 ARG A 51 9.867 6.826 -18.620 1.00 6.34 H ATOM 834 HG3 ARG A 51 8.458 7.825 -18.264 1.00 6.28 H ATOM 835 HD2 ARG A 51 10.582 9.024 -16.848 1.00 6.42 H ATOM 836 HD3 ARG A 51 11.235 8.631 -18.451 1.00 6.49 H ATOM 837 HE ARG A 51 8.652 10.110 -18.091 1.00 7.53 H ATOM 838 HH11 ARG A 51 11.759 10.884 -18.745 1.00 8.02 H ATOM 839 HH12 ARG A 51 11.504 11.484 -20.350 1.00 8.97 H ATOM 840 HH21 ARG A 51 8.259 10.282 -20.568 1.00 8.46 H ATOM 841 HH22 ARG A 51 9.522 11.143 -21.382 1.00 9.22 H ATOM 842 N GLY A 52 12.233 7.307 -14.224 1.00 4.44 N ATOM 843 CA GLY A 52 12.557 8.008 -12.949 1.00 4.67 C ATOM 844 C GLY A 52 13.897 7.495 -12.418 1.00 4.24 C ATOM 845 O GLY A 52 14.911 7.587 -13.080 1.00 4.59 O ATOM 846 H GLY A 52 12.930 6.806 -14.697 1.00 4.51 H ATOM 847 HA2 GLY A 52 12.622 9.072 -13.130 1.00 5.03 H ATOM 848 HA3 GLY A 52 11.785 7.811 -12.222 1.00 5.11 H ATOM 849 N MET A 53 13.913 6.953 -11.230 1.00 3.87 N ATOM 850 CA MET A 53 15.194 6.436 -10.669 1.00 3.77 C ATOM 851 C MET A 53 14.977 5.851 -9.271 1.00 2.82 C ATOM 852 O MET A 53 15.666 6.198 -8.332 1.00 3.08 O ATOM 853 CB MET A 53 16.115 7.656 -10.598 1.00 4.56 C ATOM 854 CG MET A 53 15.422 8.775 -9.818 1.00 5.13 C ATOM 855 SD MET A 53 15.964 10.380 -10.456 1.00 6.26 S ATOM 856 CE MET A 53 14.321 11.056 -10.798 1.00 6.96 C ATOM 857 H MET A 53 13.085 6.885 -10.709 1.00 3.98 H ATOM 858 HA MET A 53 15.620 5.694 -11.326 1.00 4.28 H ATOM 859 HB2 MET A 53 17.034 7.384 -10.098 1.00 4.87 H ATOM 860 HB3 MET A 53 16.337 8.000 -11.596 1.00 4.87 H ATOM 861 HG2 MET A 53 14.352 8.685 -9.932 1.00 5.12 H ATOM 862 HG3 MET A 53 15.680 8.698 -8.772 1.00 5.32 H ATOM 863 HE1 MET A 53 13.840 11.318 -9.865 1.00 7.04 H ATOM 864 HE2 MET A 53 13.725 10.318 -11.311 1.00 7.38 H ATOM 865 HE3 MET A 53 14.416 11.935 -11.420 1.00 7.20 H ATOM 866 N ALA A 54 14.030 4.963 -9.118 1.00 2.16 N ATOM 867 CA ALA A 54 13.793 4.368 -7.769 1.00 1.41 C ATOM 868 C ALA A 54 12.640 3.355 -7.796 1.00 1.14 C ATOM 869 O ALA A 54 12.014 3.100 -6.787 1.00 1.83 O ATOM 870 CB ALA A 54 13.436 5.554 -6.875 1.00 1.19 C ATOM 871 H ALA A 54 13.482 4.691 -9.882 1.00 2.55 H ATOM 872 HA ALA A 54 14.693 3.899 -7.405 1.00 1.87 H ATOM 873 HB1 ALA A 54 12.431 5.432 -6.499 1.00 1.70 H ATOM 874 HB2 ALA A 54 13.498 6.468 -7.448 1.00 1.55 H ATOM 875 HB3 ALA A 54 14.126 5.602 -6.046 1.00 1.54 H ATOM 876 N THR A 55 12.359 2.766 -8.930 1.00 0.80 N ATOM 877 CA THR A 55 11.251 1.767 -8.994 1.00 0.60 C ATOM 878 C THR A 55 10.043 2.253 -8.187 1.00 0.53 C ATOM 879 O THR A 55 9.951 3.408 -7.820 1.00 0.64 O ATOM 880 CB THR A 55 11.833 0.496 -8.370 1.00 0.82 C ATOM 881 OG1 THR A 55 13.251 0.589 -8.341 1.00 1.33 O ATOM 882 CG2 THR A 55 11.418 -0.720 -9.198 1.00 1.06 C ATOM 883 H THR A 55 12.876 2.972 -9.735 1.00 1.32 H ATOM 884 HA THR A 55 10.971 1.578 -10.018 1.00 0.69 H ATOM 885 HB THR A 55 11.459 0.386 -7.364 1.00 1.18 H ATOM 886 HG1 THR A 55 13.559 0.172 -7.533 1.00 1.80 H ATOM 887 HG21 THR A 55 12.158 -1.499 -9.090 1.00 1.66 H ATOM 888 HG22 THR A 55 11.341 -0.438 -10.238 1.00 1.60 H ATOM 889 HG23 THR A 55 10.461 -1.081 -8.852 1.00 1.37 H ATOM 890 N TYR A 56 9.118 1.376 -7.907 1.00 0.43 N ATOM 891 CA TYR A 56 7.916 1.780 -7.119 1.00 0.41 C ATOM 892 C TYR A 56 7.431 0.615 -6.273 1.00 0.33 C ATOM 893 O TYR A 56 7.507 -0.530 -6.671 1.00 0.33 O ATOM 894 CB TYR A 56 6.866 2.173 -8.157 1.00 0.53 C ATOM 895 CG TYR A 56 6.662 3.669 -8.123 1.00 0.81 C ATOM 896 CD1 TYR A 56 7.599 4.516 -8.724 1.00 1.70 C ATOM 897 CD2 TYR A 56 5.535 4.208 -7.491 1.00 1.17 C ATOM 898 CE1 TYR A 56 7.411 5.903 -8.693 1.00 2.54 C ATOM 899 CE2 TYR A 56 5.347 5.596 -7.460 1.00 1.93 C ATOM 900 CZ TYR A 56 6.285 6.443 -8.061 1.00 2.56 C ATOM 901 OH TYR A 56 6.099 7.810 -8.030 1.00 3.46 O ATOM 902 H TYR A 56 9.214 0.450 -8.212 1.00 0.43 H ATOM 903 HA TYR A 56 8.140 2.614 -6.484 1.00 0.47 H ATOM 904 HB2 TYR A 56 7.203 1.878 -9.140 1.00 1.06 H ATOM 905 HB3 TYR A 56 5.933 1.678 -7.932 1.00 1.09 H ATOM 906 HD1 TYR A 56 8.468 4.099 -9.211 1.00 1.93 H ATOM 907 HD2 TYR A 56 4.812 3.555 -7.026 1.00 1.36 H ATOM 908 HE1 TYR A 56 8.135 6.557 -9.157 1.00 3.30 H ATOM 909 HE2 TYR A 56 4.478 6.012 -6.972 1.00 2.27 H ATOM 910 HH TYR A 56 5.222 7.998 -8.372 1.00 3.71 H ATOM 911 N TRP A 57 6.939 0.894 -5.099 1.00 0.30 N ATOM 912 CA TRP A 57 6.463 -0.211 -4.235 1.00 0.30 C ATOM 913 C TRP A 57 5.115 0.144 -3.603 1.00 0.34 C ATOM 914 O TRP A 57 4.926 1.226 -3.083 1.00 0.44 O ATOM 915 CB TRP A 57 7.540 -0.374 -3.159 1.00 0.33 C ATOM 916 CG TRP A 57 8.896 -0.307 -3.788 1.00 0.31 C ATOM 917 CD1 TRP A 57 9.501 0.827 -4.209 1.00 0.37 C ATOM 918 CD2 TRP A 57 9.820 -1.396 -4.077 1.00 0.32 C ATOM 919 NE1 TRP A 57 10.738 0.504 -4.737 1.00 0.40 N ATOM 920 CE2 TRP A 57 10.980 -0.854 -4.679 1.00 0.37 C ATOM 921 CE3 TRP A 57 9.766 -2.787 -3.879 1.00 0.38 C ATOM 922 CZ2 TRP A 57 12.046 -1.664 -5.068 1.00 0.44 C ATOM 923 CZ3 TRP A 57 10.835 -3.604 -4.269 1.00 0.45 C ATOM 924 CH2 TRP A 57 11.972 -3.044 -4.862 1.00 0.47 C ATOM 925 H TRP A 57 6.892 1.823 -4.788 1.00 0.32 H ATOM 926 HA TRP A 57 6.387 -1.108 -4.816 1.00 0.32 H ATOM 927 HB2 TRP A 57 7.442 0.418 -2.431 1.00 0.38 H ATOM 928 HB3 TRP A 57 7.417 -1.329 -2.670 1.00 0.38 H ATOM 929 HD1 TRP A 57 9.086 1.822 -4.143 1.00 0.43 H ATOM 930 HE1 TRP A 57 11.378 1.145 -5.112 1.00 0.47 H ATOM 931 HE3 TRP A 57 8.897 -3.230 -3.423 1.00 0.40 H ATOM 932 HZ2 TRP A 57 12.922 -1.229 -5.526 1.00 0.50 H ATOM 933 HZ3 TRP A 57 10.781 -4.671 -4.111 1.00 0.53 H ATOM 934 HH2 TRP A 57 12.788 -3.679 -5.160 1.00 0.55 H ATOM 935 N PHE A 58 4.177 -0.763 -3.642 1.00 0.32 N ATOM 936 CA PHE A 58 2.840 -0.483 -3.044 1.00 0.37 C ATOM 937 C PHE A 58 2.153 -1.795 -2.652 1.00 0.36 C ATOM 938 O PHE A 58 2.441 -2.843 -3.195 1.00 0.41 O ATOM 939 CB PHE A 58 2.052 0.227 -4.145 1.00 0.44 C ATOM 940 CG PHE A 58 2.117 -0.585 -5.416 1.00 0.44 C ATOM 941 CD1 PHE A 58 3.187 -0.414 -6.303 1.00 0.66 C ATOM 942 CD2 PHE A 58 1.107 -1.510 -5.709 1.00 0.64 C ATOM 943 CE1 PHE A 58 3.248 -1.168 -7.481 1.00 0.87 C ATOM 944 CE2 PHE A 58 1.167 -2.263 -6.887 1.00 0.82 C ATOM 945 CZ PHE A 58 2.238 -2.092 -7.774 1.00 0.88 C ATOM 946 H PHE A 58 4.351 -1.629 -4.066 1.00 0.32 H ATOM 947 HA PHE A 58 2.938 0.163 -2.186 1.00 0.41 H ATOM 948 HB2 PHE A 58 1.022 0.336 -3.839 1.00 0.57 H ATOM 949 HB3 PHE A 58 2.480 1.203 -4.321 1.00 0.56 H ATOM 950 HD1 PHE A 58 3.967 0.299 -6.077 1.00 0.83 H ATOM 951 HD2 PHE A 58 0.281 -1.642 -5.025 1.00 0.82 H ATOM 952 HE1 PHE A 58 4.073 -1.036 -8.165 1.00 1.14 H ATOM 953 HE2 PHE A 58 0.388 -2.976 -7.113 1.00 1.05 H ATOM 954 HZ PHE A 58 2.284 -2.673 -8.683 1.00 1.10 H ATOM 955 N LEU A 59 1.250 -1.745 -1.711 1.00 0.42 N ATOM 956 CA LEU A 59 0.546 -2.989 -1.283 1.00 0.46 C ATOM 957 C LEU A 59 0.175 -3.837 -2.503 1.00 0.49 C ATOM 958 O LEU A 59 0.149 -3.358 -3.619 1.00 0.65 O ATOM 959 CB LEU A 59 -0.714 -2.504 -0.565 1.00 0.62 C ATOM 960 CG LEU A 59 -0.964 -3.372 0.669 1.00 0.75 C ATOM 961 CD1 LEU A 59 0.021 -2.984 1.774 1.00 1.11 C ATOM 962 CD2 LEU A 59 -2.395 -3.154 1.164 1.00 1.41 C ATOM 963 H LEU A 59 1.034 -0.889 -1.285 1.00 0.51 H ATOM 964 HA LEU A 59 1.162 -3.555 -0.603 1.00 0.50 H ATOM 965 HB2 LEU A 59 -0.582 -1.475 -0.262 1.00 0.85 H ATOM 966 HB3 LEU A 59 -1.560 -2.578 -1.232 1.00 0.96 H ATOM 967 HG LEU A 59 -0.824 -4.412 0.412 1.00 1.20 H ATOM 968 HD11 LEU A 59 -0.435 -3.154 2.738 1.00 1.69 H ATOM 969 HD12 LEU A 59 0.279 -1.940 1.676 1.00 1.53 H ATOM 970 HD13 LEU A 59 0.914 -3.585 1.688 1.00 1.68 H ATOM 971 HD21 LEU A 59 -2.466 -3.445 2.202 1.00 1.96 H ATOM 972 HD22 LEU A 59 -3.075 -3.752 0.575 1.00 1.85 H ATOM 973 HD23 LEU A 59 -2.655 -2.110 1.065 1.00 1.78 H ATOM 974 N LYS A 60 -0.112 -5.093 -2.298 1.00 0.54 N ATOM 975 CA LYS A 60 -0.480 -5.973 -3.444 1.00 0.69 C ATOM 976 C LYS A 60 -1.802 -5.510 -4.063 1.00 1.34 C ATOM 977 O LYS A 60 -2.801 -6.198 -4.000 1.00 2.17 O ATOM 978 CB LYS A 60 -0.630 -7.369 -2.839 1.00 0.84 C ATOM 979 CG LYS A 60 -0.862 -8.389 -3.956 1.00 1.13 C ATOM 980 CD LYS A 60 0.457 -8.659 -4.682 1.00 1.50 C ATOM 981 CE LYS A 60 0.167 -9.139 -6.106 1.00 2.24 C ATOM 982 NZ LYS A 60 0.626 -10.556 -6.135 1.00 2.84 N ATOM 983 H LYS A 60 -0.084 -5.459 -1.389 1.00 0.60 H ATOM 984 HA LYS A 60 0.304 -5.975 -4.185 1.00 1.07 H ATOM 985 HB2 LYS A 60 0.269 -7.624 -2.298 1.00 1.25 H ATOM 986 HB3 LYS A 60 -1.473 -7.380 -2.164 1.00 1.30 H ATOM 987 HG2 LYS A 60 -1.235 -9.309 -3.530 1.00 1.72 H ATOM 988 HG3 LYS A 60 -1.583 -7.998 -4.657 1.00 1.60 H ATOM 989 HD2 LYS A 60 1.040 -7.751 -4.719 1.00 1.89 H ATOM 990 HD3 LYS A 60 1.010 -9.421 -4.153 1.00 1.91 H ATOM 991 HE2 LYS A 60 -0.893 -9.080 -6.312 1.00 2.74 H ATOM 992 HE3 LYS A 60 0.725 -8.555 -6.821 1.00 2.57 H ATOM 993 HZ1 LYS A 60 0.300 -11.044 -5.276 1.00 3.12 H ATOM 994 HZ2 LYS A 60 1.665 -10.582 -6.177 1.00 3.18 H ATOM 995 HZ3 LYS A 60 0.232 -11.031 -6.971 1.00 3.28 H ATOM 996 N GLY A 61 -1.815 -4.350 -4.661 1.00 1.75 N ATOM 997 CA GLY A 61 -3.072 -3.847 -5.282 1.00 2.45 C ATOM 998 C GLY A 61 -4.128 -3.637 -4.199 1.00 2.70 C ATOM 999 O GLY A 61 -4.429 -2.524 -3.817 1.00 3.17 O ATOM 1000 H GLY A 61 -0.998 -3.811 -4.702 1.00 2.07 H ATOM 1001 HA2 GLY A 61 -2.877 -2.910 -5.784 1.00 2.77 H ATOM 1002 HA3 GLY A 61 -3.436 -4.570 -5.996 1.00 3.10 H ATOM 1003 N GLU A 62 -4.695 -4.701 -3.704 1.00 3.08 N ATOM 1004 CA GLU A 62 -5.736 -4.571 -2.649 1.00 3.84 C ATOM 1005 C GLU A 62 -6.188 -5.960 -2.186 1.00 4.13 C ATOM 1006 O GLU A 62 -5.445 -6.683 -1.553 1.00 4.46 O ATOM 1007 CB GLU A 62 -6.878 -3.803 -3.319 1.00 4.44 C ATOM 1008 CG GLU A 62 -7.965 -3.503 -2.286 1.00 5.06 C ATOM 1009 CD GLU A 62 -9.337 -3.552 -2.959 1.00 5.38 C ATOM 1010 OE1 GLU A 62 -9.407 -4.019 -4.084 1.00 5.74 O ATOM 1011 OE2 GLU A 62 -10.296 -3.124 -2.337 1.00 5.63 O ATOM 1012 H GLU A 62 -4.438 -5.588 -4.030 1.00 3.25 H ATOM 1013 HA GLU A 62 -5.361 -4.009 -1.815 1.00 4.27 H ATOM 1014 HB2 GLU A 62 -6.499 -2.876 -3.725 1.00 4.62 H ATOM 1015 HB3 GLU A 62 -7.295 -4.401 -4.115 1.00 4.76 H ATOM 1016 HG2 GLU A 62 -7.923 -4.239 -1.496 1.00 5.47 H ATOM 1017 HG3 GLU A 62 -7.805 -2.520 -1.871 1.00 5.33 H ATOM 1018 N LYS A 63 -7.393 -6.339 -2.496 1.00 4.48 N ATOM 1019 CA LYS A 63 -7.885 -7.682 -2.072 1.00 5.14 C ATOM 1020 C LYS A 63 -9.011 -8.149 -2.997 1.00 5.61 C ATOM 1021 O LYS A 63 -9.430 -7.439 -3.890 1.00 6.11 O ATOM 1022 CB LYS A 63 -8.406 -7.482 -0.649 1.00 5.79 C ATOM 1023 CG LYS A 63 -7.478 -8.191 0.340 1.00 6.25 C ATOM 1024 CD LYS A 63 -8.277 -8.620 1.572 1.00 7.01 C ATOM 1025 CE LYS A 63 -7.608 -9.836 2.218 1.00 7.82 C ATOM 1026 NZ LYS A 63 -8.290 -11.014 1.615 1.00 8.51 N ATOM 1027 H LYS A 63 -7.974 -5.745 -3.005 1.00 4.59 H ATOM 1028 HA LYS A 63 -7.076 -8.396 -2.071 1.00 5.23 H ATOM 1029 HB2 LYS A 63 -8.436 -6.425 -0.422 1.00 5.94 H ATOM 1030 HB3 LYS A 63 -9.400 -7.896 -0.567 1.00 6.17 H ATOM 1031 HG2 LYS A 63 -7.049 -9.063 -0.133 1.00 6.24 H ATOM 1032 HG3 LYS A 63 -6.690 -7.518 0.640 1.00 6.44 H ATOM 1033 HD2 LYS A 63 -8.307 -7.805 2.282 1.00 7.23 H ATOM 1034 HD3 LYS A 63 -9.282 -8.879 1.278 1.00 7.09 H ATOM 1035 HE2 LYS A 63 -6.552 -9.849 1.985 1.00 8.01 H ATOM 1036 HE3 LYS A 63 -7.760 -9.827 3.286 1.00 7.98 H ATOM 1037 HZ1 LYS A 63 -8.491 -10.824 0.613 1.00 8.65 H ATOM 1038 HZ2 LYS A 63 -9.182 -11.194 2.120 1.00 8.84 H ATOM 1039 HZ3 LYS A 63 -7.675 -11.848 1.690 1.00 8.78 H ATOM 1040 N GLN A 64 -9.505 -9.340 -2.791 1.00 5.82 N ATOM 1041 CA GLN A 64 -10.605 -9.852 -3.659 1.00 6.60 C ATOM 1042 C GLN A 64 -10.188 -9.798 -5.131 1.00 6.87 C ATOM 1043 O GLN A 64 -11.012 -9.858 -6.022 1.00 7.25 O ATOM 1044 CB GLN A 64 -11.783 -8.914 -3.399 1.00 7.22 C ATOM 1045 CG GLN A 64 -12.349 -9.179 -2.003 1.00 8.00 C ATOM 1046 CD GLN A 64 -13.282 -10.390 -2.051 1.00 8.62 C ATOM 1047 OE1 GLN A 64 -14.052 -10.541 -2.979 1.00 8.94 O ATOM 1048 NE2 GLN A 64 -13.246 -11.265 -1.084 1.00 9.04 N ATOM 1049 H GLN A 64 -9.154 -9.897 -2.066 1.00 5.69 H ATOM 1050 HA GLN A 64 -10.868 -10.860 -3.378 1.00 6.87 H ATOM 1051 HB2 GLN A 64 -11.448 -7.889 -3.465 1.00 7.12 H ATOM 1052 HB3 GLN A 64 -12.553 -9.089 -4.136 1.00 7.52 H ATOM 1053 HG2 GLN A 64 -11.537 -9.375 -1.317 1.00 8.27 H ATOM 1054 HG3 GLN A 64 -12.902 -8.314 -1.668 1.00 8.14 H ATOM 1055 HE21 GLN A 64 -12.625 -11.144 -0.336 1.00 8.96 H ATOM 1056 HE22 GLN A 64 -13.839 -12.045 -1.106 1.00 9.58 H ATOM 1057 N ALA A 65 -8.915 -9.685 -5.394 1.00 7.02 N ATOM 1058 CA ALA A 65 -8.448 -9.628 -6.809 1.00 7.64 C ATOM 1059 C ALA A 65 -8.023 -11.022 -7.281 1.00 7.86 C ATOM 1060 O ALA A 65 -7.353 -11.170 -8.283 1.00 7.96 O ATOM 1061 CB ALA A 65 -7.251 -8.679 -6.794 1.00 7.85 C ATOM 1062 H ALA A 65 -8.265 -9.639 -4.661 1.00 6.95 H ATOM 1063 HA ALA A 65 -9.224 -9.234 -7.446 1.00 8.09 H ATOM 1064 HB1 ALA A 65 -6.829 -8.646 -5.800 1.00 8.07 H ATOM 1065 HB2 ALA A 65 -7.573 -7.689 -7.081 1.00 8.10 H ATOM 1066 HB3 ALA A 65 -6.504 -9.030 -7.491 1.00 7.85 H ATOM 1067 N GLY A 66 -8.409 -12.043 -6.566 1.00 8.22 N ATOM 1068 CA GLY A 66 -8.027 -13.425 -6.974 1.00 8.76 C ATOM 1069 C GLY A 66 -8.949 -14.433 -6.286 1.00 9.04 C ATOM 1070 O GLY A 66 -9.513 -15.305 -6.918 1.00 9.26 O ATOM 1071 H GLY A 66 -8.949 -11.901 -5.761 1.00 8.33 H ATOM 1072 HA2 GLY A 66 -8.121 -13.522 -8.047 1.00 8.92 H ATOM 1073 HA3 GLY A 66 -7.006 -13.618 -6.682 1.00 9.03 H ATOM 1074 N GLN A 67 -9.106 -14.323 -4.995 1.00 9.26 N ATOM 1075 CA GLN A 67 -9.992 -15.276 -4.267 1.00 9.75 C ATOM 1076 C GLN A 67 -11.363 -14.641 -4.023 1.00 9.79 C ATOM 1077 O GLN A 67 -12.054 -14.975 -3.080 1.00 10.01 O ATOM 1078 CB GLN A 67 -9.278 -15.544 -2.941 1.00 10.21 C ATOM 1079 CG GLN A 67 -10.149 -16.444 -2.063 1.00 10.72 C ATOM 1080 CD GLN A 67 -10.576 -15.677 -0.810 1.00 11.41 C ATOM 1081 OE1 GLN A 67 -9.835 -14.858 -0.304 1.00 11.82 O ATOM 1082 NE2 GLN A 67 -11.748 -15.908 -0.285 1.00 11.75 N ATOM 1083 H GLN A 67 -8.642 -13.613 -4.505 1.00 9.26 H ATOM 1084 HA GLN A 67 -10.094 -16.195 -4.822 1.00 9.98 H ATOM 1085 HB2 GLN A 67 -8.334 -16.032 -3.133 1.00 10.21 H ATOM 1086 HB3 GLN A 67 -9.103 -14.608 -2.431 1.00 10.41 H ATOM 1087 HG2 GLN A 67 -11.026 -16.748 -2.616 1.00 10.83 H ATOM 1088 HG3 GLN A 67 -9.586 -17.318 -1.772 1.00 10.71 H ATOM 1089 HE21 GLN A 67 -12.345 -16.569 -0.693 1.00 11.56 H ATOM 1090 HE22 GLN A 67 -12.030 -15.421 0.517 1.00 12.30 H ATOM 1091 N SER A 68 -11.764 -13.729 -4.865 1.00 9.82 N ATOM 1092 CA SER A 68 -13.091 -13.075 -4.682 1.00 10.13 C ATOM 1093 C SER A 68 -14.173 -14.132 -4.448 1.00 10.06 C ATOM 1094 O SER A 68 -14.697 -14.713 -5.377 1.00 9.97 O ATOM 1095 CB SER A 68 -13.346 -12.327 -5.989 1.00 10.49 C ATOM 1096 OG SER A 68 -13.956 -11.075 -5.702 1.00 10.97 O ATOM 1097 H SER A 68 -11.192 -13.475 -5.620 1.00 9.82 H ATOM 1098 HA SER A 68 -13.058 -12.379 -3.859 1.00 10.39 H ATOM 1099 HB2 SER A 68 -12.412 -12.158 -6.498 1.00 10.54 H ATOM 1100 HB3 SER A 68 -13.996 -12.920 -6.620 1.00 10.57 H ATOM 1101 HG SER A 68 -13.895 -10.529 -6.489 1.00 11.26 H ATOM 1102 N CYS A 69 -14.510 -14.386 -3.213 1.00 10.34 N ATOM 1103 CA CYS A 69 -15.558 -15.406 -2.922 1.00 10.55 C ATOM 1104 C CYS A 69 -15.130 -16.772 -3.466 1.00 10.69 C ATOM 1105 O CYS A 69 -15.922 -17.688 -3.566 1.00 10.88 O ATOM 1106 CB CYS A 69 -16.809 -14.907 -3.645 1.00 11.10 C ATOM 1107 SG CYS A 69 -17.095 -13.169 -3.226 1.00 11.57 S ATOM 1108 H CYS A 69 -14.075 -13.906 -2.478 1.00 10.57 H ATOM 1109 HA CYS A 69 -15.743 -15.463 -1.861 1.00 10.46 H ATOM 1110 HB2 CYS A 69 -16.671 -15.002 -4.712 1.00 11.28 H ATOM 1111 HB3 CYS A 69 -17.661 -15.496 -3.338 1.00 11.28 H ATOM 1112 HG CYS A 69 -16.342 -12.662 -3.537 1.00 11.63 H ATOM 1113 N SER A 70 -13.881 -16.915 -3.817 1.00 10.81 N ATOM 1114 CA SER A 70 -13.401 -18.221 -4.354 1.00 11.15 C ATOM 1115 C SER A 70 -14.063 -18.517 -5.703 1.00 11.16 C ATOM 1116 O SER A 70 -13.927 -19.595 -6.248 1.00 11.46 O ATOM 1117 CB SER A 70 -13.822 -19.256 -3.312 1.00 11.62 C ATOM 1118 OG SER A 70 -12.736 -20.138 -3.062 1.00 11.83 O ATOM 1119 H SER A 70 -13.258 -16.164 -3.728 1.00 10.81 H ATOM 1120 HA SER A 70 -12.327 -18.215 -4.454 1.00 11.27 H ATOM 1121 HB2 SER A 70 -14.092 -18.758 -2.396 1.00 11.82 H ATOM 1122 HB3 SER A 70 -14.674 -19.812 -3.682 1.00 11.80 H ATOM 1123 HG SER A 70 -12.227 -20.218 -3.872 1.00 12.02 H ATOM 1124 N SER A 71 -14.777 -17.570 -6.247 1.00 10.99 N ATOM 1125 CA SER A 71 -15.446 -17.800 -7.560 1.00 11.16 C ATOM 1126 C SER A 71 -16.084 -19.192 -7.592 1.00 11.26 C ATOM 1127 O SER A 71 -15.911 -19.944 -8.531 1.00 11.25 O ATOM 1128 CB SER A 71 -14.327 -17.700 -8.596 1.00 11.08 C ATOM 1129 OG SER A 71 -14.359 -16.412 -9.199 1.00 11.28 O ATOM 1130 H SER A 71 -14.874 -16.707 -5.792 1.00 10.88 H ATOM 1131 HA SER A 71 -16.188 -17.040 -7.744 1.00 11.45 H ATOM 1132 HB2 SER A 71 -13.374 -17.841 -8.115 1.00 11.16 H ATOM 1133 HB3 SER A 71 -14.465 -18.465 -9.349 1.00 11.04 H ATOM 1134 HG SER A 71 -15.278 -16.177 -9.347 1.00 11.41 H ATOM 1135 N THR A 72 -16.820 -19.541 -6.573 1.00 11.55 N ATOM 1136 CA THR A 72 -17.468 -20.884 -6.544 1.00 11.85 C ATOM 1137 C THR A 72 -18.964 -20.758 -6.845 1.00 12.09 C ATOM 1138 O THR A 72 -19.750 -21.618 -6.501 1.00 12.36 O ATOM 1139 CB THR A 72 -17.250 -21.397 -5.120 1.00 12.36 C ATOM 1140 OG1 THR A 72 -17.596 -20.376 -4.194 1.00 12.64 O ATOM 1141 CG2 THR A 72 -15.782 -21.783 -4.933 1.00 12.24 C ATOM 1142 H THR A 72 -16.947 -18.920 -5.825 1.00 11.70 H ATOM 1143 HA THR A 72 -16.994 -21.547 -7.251 1.00 11.75 H ATOM 1144 HB THR A 72 -17.870 -22.263 -4.949 1.00 12.81 H ATOM 1145 HG1 THR A 72 -17.247 -20.624 -3.335 1.00 13.07 H ATOM 1146 HG21 THR A 72 -15.656 -22.835 -5.145 1.00 12.16 H ATOM 1147 HG22 THR A 72 -15.484 -21.583 -3.914 1.00 12.30 H ATOM 1148 HG23 THR A 72 -15.169 -21.204 -5.607 1.00 12.36 H ATOM 1149 N THR A 73 -19.364 -19.693 -7.483 1.00 12.15 N ATOM 1150 CA THR A 73 -20.809 -19.515 -7.803 1.00 12.53 C ATOM 1151 C THR A 73 -20.980 -19.068 -9.257 1.00 12.69 C ATOM 1152 O THR A 73 -21.841 -18.271 -9.574 1.00 12.81 O ATOM 1153 CB THR A 73 -21.295 -18.426 -6.846 1.00 12.82 C ATOM 1154 OG1 THR A 73 -20.385 -18.310 -5.762 1.00 12.89 O ATOM 1155 CG2 THR A 73 -22.682 -18.791 -6.314 1.00 13.31 C ATOM 1156 H THR A 73 -18.714 -19.010 -7.752 1.00 12.06 H ATOM 1157 HA THR A 73 -21.350 -20.431 -7.624 1.00 12.65 H ATOM 1158 HB THR A 73 -21.353 -17.484 -7.370 1.00 12.84 H ATOM 1159 HG1 THR A 73 -20.783 -17.741 -5.099 1.00 13.00 H ATOM 1160 HG21 THR A 73 -23.202 -17.892 -6.018 1.00 13.46 H ATOM 1161 HG22 THR A 73 -22.579 -19.445 -5.461 1.00 13.50 H ATOM 1162 HG23 THR A 73 -23.243 -19.294 -7.088 1.00 13.50 H ATOM 1163 N LEU A 74 -20.167 -19.573 -10.144 1.00 12.88 N ATOM 1164 CA LEU A 74 -20.286 -19.173 -11.576 1.00 13.21 C ATOM 1165 C LEU A 74 -20.333 -20.415 -12.472 1.00 13.33 C ATOM 1166 O LEU A 74 -20.152 -20.333 -13.670 1.00 13.27 O ATOM 1167 CB LEU A 74 -19.028 -18.353 -11.865 1.00 13.18 C ATOM 1168 CG LEU A 74 -18.811 -17.334 -10.746 1.00 13.13 C ATOM 1169 CD1 LEU A 74 -17.435 -16.685 -10.905 1.00 13.18 C ATOM 1170 CD2 LEU A 74 -19.895 -16.255 -10.822 1.00 13.36 C ATOM 1171 H LEU A 74 -19.479 -20.215 -9.869 1.00 12.92 H ATOM 1172 HA LEU A 74 -21.164 -18.566 -11.725 1.00 13.52 H ATOM 1173 HB2 LEU A 74 -18.174 -19.012 -11.923 1.00 13.10 H ATOM 1174 HB3 LEU A 74 -19.146 -17.833 -12.804 1.00 13.45 H ATOM 1175 HG LEU A 74 -18.865 -17.833 -9.789 1.00 13.12 H ATOM 1176 HD11 LEU A 74 -16.713 -17.220 -10.305 1.00 13.20 H ATOM 1177 HD12 LEU A 74 -17.482 -15.656 -10.580 1.00 13.30 H ATOM 1178 HD13 LEU A 74 -17.138 -16.721 -11.942 1.00 13.25 H ATOM 1179 HD21 LEU A 74 -20.123 -16.047 -11.857 1.00 13.63 H ATOM 1180 HD22 LEU A 74 -19.541 -15.354 -10.344 1.00 13.58 H ATOM 1181 HD23 LEU A 74 -20.785 -16.603 -10.321 1.00 13.22 H ATOM 1182 N GLU A 75 -20.575 -21.563 -11.901 1.00 13.65 N ATOM 1183 CA GLU A 75 -20.632 -22.806 -12.724 1.00 13.90 C ATOM 1184 C GLU A 75 -21.938 -23.560 -12.457 1.00 14.03 C ATOM 1185 O GLU A 75 -22.019 -24.759 -12.636 1.00 13.92 O ATOM 1186 CB GLU A 75 -19.431 -23.637 -12.270 1.00 14.17 C ATOM 1187 CG GLU A 75 -18.767 -24.282 -13.488 1.00 14.24 C ATOM 1188 CD GLU A 75 -17.261 -24.400 -13.245 1.00 14.18 C ATOM 1189 OE1 GLU A 75 -16.852 -24.253 -12.106 1.00 14.19 O ATOM 1190 OE2 GLU A 75 -16.543 -24.635 -14.203 1.00 14.27 O ATOM 1191 H GLU A 75 -20.718 -21.609 -10.933 1.00 13.83 H ATOM 1192 HA GLU A 75 -20.540 -22.568 -13.772 1.00 13.96 H ATOM 1193 HB2 GLU A 75 -18.720 -22.997 -11.768 1.00 14.29 H ATOM 1194 HB3 GLU A 75 -19.763 -24.409 -11.592 1.00 14.37 H ATOM 1195 HG2 GLU A 75 -19.185 -25.266 -13.646 1.00 14.46 H ATOM 1196 HG3 GLU A 75 -18.943 -23.671 -14.360 1.00 14.29 H ATOM 1197 N HIS A 76 -22.959 -22.865 -12.032 1.00 14.41 N ATOM 1198 CA HIS A 76 -24.262 -23.537 -11.752 1.00 14.69 C ATOM 1199 C HIS A 76 -24.076 -24.658 -10.724 1.00 14.81 C ATOM 1200 O HIS A 76 -23.375 -25.621 -10.959 1.00 14.81 O ATOM 1201 CB HIS A 76 -24.714 -24.109 -13.097 1.00 14.99 C ATOM 1202 CG HIS A 76 -25.132 -22.983 -14.002 1.00 15.39 C ATOM 1203 ND1 HIS A 76 -25.913 -21.928 -13.557 1.00 15.55 N ATOM 1204 CD2 HIS A 76 -24.885 -22.732 -15.329 1.00 15.85 C ATOM 1205 CE1 HIS A 76 -26.107 -21.099 -14.599 1.00 16.08 C ATOM 1206 NE2 HIS A 76 -25.501 -21.542 -15.704 1.00 16.28 N ATOM 1207 H HIS A 76 -22.869 -21.899 -11.895 1.00 14.60 H ATOM 1208 HA HIS A 76 -24.985 -22.820 -11.397 1.00 14.78 H ATOM 1209 HB2 HIS A 76 -23.899 -24.653 -13.551 1.00 14.86 H ATOM 1210 HB3 HIS A 76 -25.550 -24.775 -12.943 1.00 15.20 H ATOM 1211 HD1 HIS A 76 -26.262 -21.809 -12.649 1.00 15.41 H ATOM 1212 HD2 HIS A 76 -24.300 -23.363 -15.983 1.00 15.98 H ATOM 1213 HE1 HIS A 76 -26.680 -20.186 -14.547 1.00 16.41 H ATOM 1214 N HIS A 77 -24.702 -24.538 -9.586 1.00 15.04 N ATOM 1215 CA HIS A 77 -24.562 -25.594 -8.542 1.00 15.31 C ATOM 1216 C HIS A 77 -25.047 -26.942 -9.082 1.00 15.52 C ATOM 1217 O HIS A 77 -26.215 -27.267 -9.009 1.00 15.87 O ATOM 1218 CB HIS A 77 -25.451 -25.128 -7.389 1.00 15.56 C ATOM 1219 CG HIS A 77 -26.798 -24.728 -7.924 1.00 15.76 C ATOM 1220 ND1 HIS A 77 -27.703 -23.993 -7.174 1.00 16.15 N ATOM 1221 CD2 HIS A 77 -27.408 -24.952 -9.134 1.00 15.81 C ATOM 1222 CE1 HIS A 77 -28.798 -23.803 -7.933 1.00 16.41 C ATOM 1223 NE2 HIS A 77 -28.671 -24.367 -9.137 1.00 16.23 N ATOM 1224 H HIS A 77 -25.263 -23.753 -9.416 1.00 15.15 H ATOM 1225 HA HIS A 77 -23.538 -25.665 -8.212 1.00 15.33 H ATOM 1226 HB2 HIS A 77 -25.571 -25.933 -6.679 1.00 15.71 H ATOM 1227 HB3 HIS A 77 -24.993 -24.281 -6.900 1.00 15.62 H ATOM 1228 HD1 HIS A 77 -27.570 -23.671 -6.259 1.00 16.31 H ATOM 1229 HD2 HIS A 77 -26.974 -25.499 -9.958 1.00 15.68 H ATOM 1230 HE1 HIS A 77 -29.674 -23.261 -7.607 1.00 16.83 H ATOM 1231 N HIS A 78 -24.158 -27.730 -9.622 1.00 15.45 N ATOM 1232 CA HIS A 78 -24.570 -29.057 -10.164 1.00 15.80 C ATOM 1233 C HIS A 78 -25.662 -28.882 -11.223 1.00 15.64 C ATOM 1234 O HIS A 78 -26.805 -28.618 -10.910 1.00 15.54 O ATOM 1235 CB HIS A 78 -25.112 -29.825 -8.957 1.00 16.17 C ATOM 1236 CG HIS A 78 -25.432 -31.237 -9.363 1.00 16.60 C ATOM 1237 ND1 HIS A 78 -26.650 -31.831 -9.073 1.00 16.92 N ATOM 1238 CD2 HIS A 78 -24.702 -32.187 -10.035 1.00 16.94 C ATOM 1239 CE1 HIS A 78 -26.618 -33.083 -9.565 1.00 17.41 C ATOM 1240 NE2 HIS A 78 -25.453 -33.351 -10.161 1.00 17.45 N ATOM 1241 H HIS A 78 -23.220 -27.451 -9.670 1.00 15.27 H ATOM 1242 HA HIS A 78 -23.720 -29.576 -10.579 1.00 16.07 H ATOM 1243 HB2 HIS A 78 -24.368 -29.834 -8.174 1.00 16.24 H ATOM 1244 HB3 HIS A 78 -26.008 -29.343 -8.597 1.00 16.19 H ATOM 1245 HD1 HIS A 78 -27.399 -31.415 -8.596 1.00 16.89 H ATOM 1246 HD2 HIS A 78 -23.698 -32.050 -10.408 1.00 16.93 H ATOM 1247 HE1 HIS A 78 -27.435 -33.785 -9.487 1.00 17.83 H ATOM 1248 N HIS A 79 -25.318 -29.029 -12.474 1.00 15.75 N ATOM 1249 CA HIS A 79 -26.338 -28.873 -13.551 1.00 15.74 C ATOM 1250 C HIS A 79 -27.642 -29.566 -13.147 1.00 16.22 C ATOM 1251 O HIS A 79 -27.645 -30.503 -12.375 1.00 16.62 O ATOM 1252 CB HIS A 79 -25.727 -29.554 -14.776 1.00 15.74 C ATOM 1253 CG HIS A 79 -25.415 -30.987 -14.447 1.00 15.44 C ATOM 1254 ND1 HIS A 79 -26.403 -31.953 -14.343 1.00 15.47 N ATOM 1255 CD2 HIS A 79 -24.230 -31.634 -14.194 1.00 15.29 C ATOM 1256 CE1 HIS A 79 -25.802 -33.118 -14.040 1.00 15.33 C ATOM 1257 NE2 HIS A 79 -24.477 -32.980 -13.937 1.00 15.23 N ATOM 1258 H HIS A 79 -24.390 -29.244 -12.705 1.00 15.92 H ATOM 1259 HA HIS A 79 -26.512 -27.829 -13.757 1.00 15.57 H ATOM 1260 HB2 HIS A 79 -26.428 -29.516 -15.596 1.00 15.82 H ATOM 1261 HB3 HIS A 79 -24.817 -29.043 -15.056 1.00 16.04 H ATOM 1262 HD1 HIS A 79 -27.365 -31.813 -14.468 1.00 15.66 H ATOM 1263 HD2 HIS A 79 -23.256 -31.170 -14.195 1.00 15.35 H ATOM 1264 HE1 HIS A 79 -26.326 -34.051 -13.897 1.00 15.43 H ATOM 1265 N HIS A 80 -28.752 -29.111 -13.664 1.00 16.32 N ATOM 1266 CA HIS A 80 -30.056 -29.744 -13.309 1.00 16.95 C ATOM 1267 C HIS A 80 -30.386 -29.491 -11.835 1.00 17.19 C ATOM 1268 O HIS A 80 -31.404 -28.915 -11.510 1.00 17.07 O ATOM 1269 CB HIS A 80 -29.856 -31.239 -13.566 1.00 17.20 C ATOM 1270 CG HIS A 80 -31.190 -31.893 -13.794 1.00 17.56 C ATOM 1271 ND1 HIS A 80 -32.096 -32.103 -12.766 1.00 17.80 N ATOM 1272 CD2 HIS A 80 -31.786 -32.391 -14.926 1.00 17.88 C ATOM 1273 CE1 HIS A 80 -33.178 -32.703 -13.295 1.00 18.24 C ATOM 1274 NE2 HIS A 80 -33.041 -32.902 -14.609 1.00 18.30 N ATOM 1275 H HIS A 80 -28.728 -28.354 -14.285 1.00 16.09 H ATOM 1276 HA HIS A 80 -30.842 -29.365 -13.942 1.00 17.18 H ATOM 1277 HB2 HIS A 80 -29.235 -31.374 -14.439 1.00 17.14 H ATOM 1278 HB3 HIS A 80 -29.376 -31.690 -12.710 1.00 17.34 H ATOM 1279 HD1 HIS A 80 -31.972 -31.858 -11.825 1.00 17.77 H ATOM 1280 HD2 HIS A 80 -31.348 -32.386 -15.913 1.00 17.90 H ATOM 1281 HE1 HIS A 80 -34.051 -32.990 -12.727 1.00 18.59 H ATOM 1282 N HIS A 81 -29.530 -29.920 -10.945 1.00 17.67 N ATOM 1283 CA HIS A 81 -29.787 -29.710 -9.488 1.00 18.09 C ATOM 1284 C HIS A 81 -31.269 -29.928 -9.167 1.00 18.23 C ATOM 1285 O HIS A 81 -31.918 -30.641 -9.914 1.00 18.29 O ATOM 1286 CB HIS A 81 -29.378 -28.259 -9.217 1.00 18.32 C ATOM 1287 CG HIS A 81 -30.430 -27.324 -9.751 1.00 18.89 C ATOM 1288 ND1 HIS A 81 -31.620 -27.090 -9.080 1.00 19.11 N ATOM 1289 CD2 HIS A 81 -30.484 -26.558 -10.889 1.00 19.41 C ATOM 1290 CE1 HIS A 81 -32.334 -26.216 -9.814 1.00 19.73 C ATOM 1291 NE2 HIS A 81 -31.687 -25.859 -10.927 1.00 19.94 N ATOM 1292 OXT HIS A 81 -31.728 -29.377 -8.180 1.00 18.39 O ATOM 1293 H HIS A 81 -28.717 -30.384 -11.234 1.00 17.85 H ATOM 1294 HA HIS A 81 -29.175 -30.377 -8.901 1.00 18.29 H ATOM 1295 HB2 HIS A 81 -29.273 -28.109 -8.152 1.00 18.26 H ATOM 1296 HB3 HIS A 81 -28.436 -28.054 -9.703 1.00 18.28 H ATOM 1297 HD1 HIS A 81 -31.893 -27.489 -8.228 1.00 18.93 H ATOM 1298 HD2 HIS A 81 -29.710 -26.506 -11.641 1.00 19.50 H ATOM 1299 HE1 HIS A 81 -33.311 -25.849 -9.536 1.00 20.11 H TER 1300 HIS A 81 MASTER 110 0 0 4 2 0 0 6 1299 1 0 7 END