HEADER CELL CYCLE PROTEIN 22-MAR-05 2BN8 TITLE SOLUTION STRUCTURE AND INTERACTIONS OF THE E.COLI CELL TITLE 2 DIVISION ACTIVATOR PROTEIN CEDA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CELL DIVISION ACTIVATOR CEDA; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CEDA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CEDA, CELL DIVISION ACTIVATOR PROTEIN, CELL CYCLE PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.A.CHEN,P.SIMPSON,T.HUYTON,D.ROPER,S.MATTHEWS REVDAT 2 24-FEB-09 2BN8 1 VERSN REVDAT 1 21-DEC-06 2BN8 0 JRNL AUTH H.A.CHEN,P.SIMPSON,T.HUYTON,D.ROPER,S.MATTHEWS JRNL TITL SOLUTION STRUCTURE AND INTERACTIONS OF THE JRNL TITL 2 ESCHERICHIA COLI CELL DIVISION ACTIVATOR PROTEIN JRNL TITL 3 CEDA. JRNL REF BIOCHEMISTRY V. 44 6738 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 15865419 JRNL DOI 10.1021/BI0500269 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2BN8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 22-MAR-05. REMARK 100 THE PDBE ID CODE IS EBI-23422. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310.0 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 : OTHER REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : NULL REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NONE REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 ARG A 2 REMARK 465 LEU A 3 REMARK 465 VAL A 4 REMARK 465 LYS A 5 REMARK 465 PRO A 6 REMARK 465 VAL A 7 REMARK 465 MET A 8 REMARK 465 LYS A 9 REMARK 465 LYS A 10 REMARK 465 PRO A 11 REMARK 465 LEU A 12 REMARK 465 ARG A 13 REMARK 465 GLN A 14 REMARK 465 GLN A 15 REMARK 465 ASN A 16 REMARK 465 ARG A 17 REMARK 465 GLN A 18 REMARK 465 ILE A 19 REMARK 465 ILE A 20 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 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 VAL A 23 90.62 38.66 REMARK 500 ARG A 25 23.36 -71.42 REMARK 500 THR A 26 -161.82 49.84 REMARK 500 PRO A 28 97.84 -47.05 REMARK 500 GLU A 32 84.33 -175.05 REMARK 500 HIS A 33 -92.78 -64.08 REMARK 500 MET A 37 -88.29 57.59 REMARK 500 ASP A 38 54.42 -151.40 REMARK 500 ARG A 41 -92.58 59.94 REMARK 500 VAL A 54 122.98 -177.15 REMARK 500 GLU A 58 3.10 -170.21 REMARK 500 SER A 59 -168.48 -101.20 REMARK 500 PRO A 64 11.33 -68.30 REMARK 500 ALA A 65 117.68 66.03 REMARK 500 GLU A 84 -73.79 71.92 REMARK 500 REMARK 500 REMARK: NULL DBREF 2BN8 A 1 87 UNP P76211 CEDA_ECOLI 1 87 SEQRES 1 A 87 MET ARG LEU VAL LYS PRO VAL MET LYS LYS PRO LEU ARG SEQRES 2 A 87 GLN GLN ASN ARG GLN ILE ILE SER TYR VAL PRO ARG THR SEQRES 3 A 87 GLU PRO ALA PRO PRO GLU HIS ALA ILE LYS MET ASP SER SEQRES 4 A 87 PHE ARG ASP VAL TRP MET LEU ARG GLY LYS TYR VAL ALA SEQRES 5 A 87 PHE VAL LEU MET GLY GLU SER PHE LEU ARG SER PRO ALA SEQRES 6 A 87 PHE THR VAL PRO GLU SER ALA GLN ARG TRP ALA ASN GLN SEQRES 7 A 87 ILE ARG GLN GLU GLY GLU VAL THR GLU HELIX 1 1 VAL A 68 GLU A 82 1 15 SHEET 1 AA 2 VAL A 43 LEU A 46 0 SHEET 2 AA 2 LYS A 49 ALA A 52 -1 O LYS A 49 N LEU A 46 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 SER A 21 2.125 17.155 -3.296 0.00 12.72 N ATOM 2 CA SER A 21 1.764 17.467 -1.891 0.00 11.81 C ATOM 3 C SER A 21 2.620 16.662 -0.923 0.00 11.04 C ATOM 4 O SER A 21 3.672 16.145 -1.293 0.00 10.99 O ATOM 5 CB SER A 21 0.286 17.156 -1.648 0.00 11.81 C ATOM 6 OG SER A 21 0.029 15.769 -1.774 0.00 12.22 O ATOM 7 H1 SER A 21 3.134 17.350 -3.458 0.00 12.85 H ATOM 8 H2 SER A 21 1.940 16.151 -3.497 0.00 13.14 H ATOM 9 H3 SER A 21 1.560 17.736 -3.948 0.00 12.95 H ATOM 10 HA SER A 21 1.939 18.520 -1.720 0.00 11.84 H ATOM 11 HB2 SER A 21 0.013 17.470 -0.651 0.00 11.80 H ATOM 12 HB3 SER A 21 -0.315 17.689 -2.370 0.00 11.71 H ATOM 13 HG SER A 21 -0.154 15.559 -2.693 0.00 12.18 H ATOM 14 N TYR A 22 2.165 16.589 0.322 0.00 10.60 N ATOM 15 CA TYR A 22 2.850 15.834 1.369 0.00 9.96 C ATOM 16 C TYR A 22 3.399 14.522 0.825 0.00 9.13 C ATOM 17 O TYR A 22 4.512 14.124 1.157 0.00 9.15 O ATOM 18 CB TYR A 22 1.864 15.545 2.496 0.00 10.34 C ATOM 19 CG TYR A 22 0.484 15.250 1.967 0.00 10.54 C ATOM 20 CD1 TYR A 22 0.140 13.972 1.555 0.00 10.74 C ATOM 21 CD2 TYR A 22 -0.459 16.258 1.839 0.00 10.75 C ATOM 22 CE1 TYR A 22 -1.108 13.705 1.034 0.00 11.18 C ATOM 23 CE2 TYR A 22 -1.706 16.002 1.312 0.00 11.15 C ATOM 24 CZ TYR A 22 -2.026 14.724 0.913 0.00 11.37 C ATOM 25 OH TYR A 22 -3.263 14.468 0.378 0.00 11.99 O ATOM 26 H TYR A 22 1.342 17.068 0.549 0.00 10.80 H ATOM 27 HA TYR A 22 3.662 16.434 1.749 0.00 10.00 H ATOM 28 HB2 TYR A 22 2.203 14.687 3.059 0.00 10.57 H ATOM 29 HB3 TYR A 22 1.800 16.403 3.148 0.00 10.48 H ATOM 30 HD1 TYR A 22 0.863 13.178 1.654 0.00 10.71 H ATOM 31 HD2 TYR A 22 -0.205 17.259 2.156 0.00 10.74 H ATOM 32 HE1 TYR A 22 -1.359 12.703 0.720 0.00 11.49 H ATOM 33 HE2 TYR A 22 -2.428 16.799 1.220 0.00 11.44 H ATOM 34 HH TYR A 22 -3.500 13.554 0.541 0.00 12.17 H ATOM 35 N VAL A 23 2.601 13.869 -0.018 0.00 8.55 N ATOM 36 CA VAL A 23 2.971 12.598 -0.626 0.00 7.82 C ATOM 37 C VAL A 23 3.717 11.696 0.352 0.00 7.38 C ATOM 38 O VAL A 23 4.942 11.764 0.455 0.00 7.45 O ATOM 39 CB VAL A 23 3.832 12.803 -1.884 0.00 7.63 C ATOM 40 CG1 VAL A 23 4.236 11.465 -2.484 0.00 7.80 C ATOM 41 CG2 VAL A 23 3.083 13.638 -2.906 0.00 7.91 C ATOM 42 H VAL A 23 1.732 14.262 -0.243 0.00 8.72 H ATOM 43 HA VAL A 23 2.059 12.102 -0.927 0.00 7.96 H ATOM 44 HB VAL A 23 4.730 13.333 -1.602 0.00 7.50 H ATOM 45 HG11 VAL A 23 4.743 10.874 -1.737 0.00 7.95 H ATOM 46 HG12 VAL A 23 3.353 10.940 -2.820 0.00 7.89 H ATOM 47 HG13 VAL A 23 4.896 11.631 -3.322 0.00 7.99 H ATOM 48 HG21 VAL A 23 2.722 14.542 -2.439 0.00 8.10 H ATOM 49 HG22 VAL A 23 3.748 13.894 -3.718 0.00 8.05 H ATOM 50 HG23 VAL A 23 2.247 13.073 -3.290 0.00 8.07 H ATOM 51 N PRO A 24 2.990 10.849 1.096 0.00 7.22 N ATOM 52 CA PRO A 24 3.593 9.925 2.046 0.00 7.04 C ATOM 53 C PRO A 24 4.205 8.739 1.320 0.00 6.31 C ATOM 54 O PRO A 24 3.925 7.584 1.640 0.00 5.86 O ATOM 55 CB PRO A 24 2.416 9.474 2.927 0.00 7.31 C ATOM 56 CG PRO A 24 1.243 10.293 2.491 0.00 7.63 C ATOM 57 CD PRO A 24 1.532 10.717 1.084 0.00 7.51 C ATOM 58 HA PRO A 24 4.345 10.409 2.652 0.00 7.48 H ATOM 59 HB2 PRO A 24 2.236 8.421 2.774 0.00 6.92 H ATOM 60 HB3 PRO A 24 2.655 9.654 3.964 0.00 7.85 H ATOM 61 HG2 PRO A 24 0.345 9.694 2.524 0.00 7.61 H ATOM 62 HG3 PRO A 24 1.142 11.158 3.130 0.00 8.17 H ATOM 63 HD2 PRO A 24 1.216 9.958 0.384 0.00 7.30 H ATOM 64 HD3 PRO A 24 1.059 11.661 0.864 0.00 8.06 H ATOM 65 N ARG A 25 5.047 9.036 0.337 0.00 6.36 N ATOM 66 CA ARG A 25 5.699 8.008 -0.456 0.00 5.86 C ATOM 67 C ARG A 25 6.763 7.270 0.347 0.00 5.36 C ATOM 68 O ARG A 25 7.687 6.694 -0.223 0.00 5.69 O ATOM 69 CB ARG A 25 6.311 8.628 -1.717 0.00 6.43 C ATOM 70 CG ARG A 25 7.146 9.871 -1.456 0.00 6.49 C ATOM 71 CD ARG A 25 8.578 9.513 -1.107 0.00 7.18 C ATOM 72 NE ARG A 25 9.423 10.694 -0.975 0.00 7.48 N ATOM 73 CZ ARG A 25 9.810 11.192 0.192 0.00 8.09 C ATOM 74 NH1 ARG A 25 9.383 10.648 1.321 0.00 8.53 N ATOM 75 NH2 ARG A 25 10.615 12.243 0.232 0.00 8.50 N ATOM 76 H ARG A 25 5.235 9.975 0.141 0.00 6.85 H ATOM 77 HA ARG A 25 4.942 7.299 -0.754 0.00 5.64 H ATOM 78 HB2 ARG A 25 6.942 7.892 -2.192 0.00 6.95 H ATOM 79 HB3 ARG A 25 5.512 8.894 -2.395 0.00 6.62 H ATOM 80 HG2 ARG A 25 7.146 10.486 -2.344 0.00 6.46 H ATOM 81 HG3 ARG A 25 6.711 10.421 -0.635 0.00 6.40 H ATOM 82 HD2 ARG A 25 8.581 8.975 -0.173 0.00 7.40 H ATOM 83 HD3 ARG A 25 8.977 8.881 -1.886 0.00 7.46 H ATOM 84 HE ARG A 25 9.729 11.128 -1.799 0.00 7.39 H ATOM 85 HH11 ARG A 25 8.767 9.861 1.294 0.00 8.40 H ATOM 86 HH12 ARG A 25 9.676 11.024 2.200 0.00 9.13 H ATOM 87 HH21 ARG A 25 10.932 12.663 -0.618 0.00 8.37 H ATOM 88 HH22 ARG A 25 10.905 12.618 1.113 0.00 9.06 H ATOM 89 N THR A 26 6.627 7.292 1.671 0.00 4.72 N ATOM 90 CA THR A 26 7.563 6.612 2.552 0.00 4.33 C ATOM 91 C THR A 26 9.000 6.967 2.206 0.00 4.18 C ATOM 92 O THR A 26 9.257 7.959 1.530 0.00 4.12 O ATOM 93 CB THR A 26 7.381 5.086 2.480 0.00 3.94 C ATOM 94 OG1 THR A 26 7.877 4.590 1.232 0.00 4.11 O ATOM 95 CG2 THR A 26 5.914 4.714 2.630 0.00 3.23 C ATOM 96 H THR A 26 5.879 7.783 2.065 0.00 4.62 H ATOM 97 HA THR A 26 7.358 6.930 3.564 0.00 4.71 H ATOM 98 HB THR A 26 7.937 4.632 3.287 0.00 4.49 H ATOM 99 HG1 THR A 26 8.837 4.592 1.244 0.00 4.29 H ATOM 100 HG21 THR A 26 5.331 5.244 1.890 0.00 3.40 H ATOM 101 HG22 THR A 26 5.795 3.650 2.486 0.00 3.16 H ATOM 102 HG23 THR A 26 5.573 4.984 3.619 0.00 3.22 H ATOM 103 N GLU A 27 9.936 6.154 2.667 0.00 4.40 N ATOM 104 CA GLU A 27 11.338 6.410 2.401 0.00 4.45 C ATOM 105 C GLU A 27 12.036 5.176 1.836 0.00 3.98 C ATOM 106 O GLU A 27 12.252 4.201 2.554 0.00 4.22 O ATOM 107 CB GLU A 27 12.042 6.865 3.675 0.00 5.32 C ATOM 108 CG GLU A 27 13.415 7.458 3.420 0.00 5.73 C ATOM 109 CD GLU A 27 13.400 8.474 2.296 0.00 6.29 C ATOM 110 OE1 GLU A 27 12.684 9.489 2.424 0.00 6.84 O ATOM 111 OE2 GLU A 27 14.098 8.251 1.286 0.00 6.43 O ATOM 112 H GLU A 27 9.680 5.369 3.194 0.00 4.69 H ATOM 113 HA GLU A 27 11.391 7.205 1.676 0.00 4.44 H ATOM 114 HB2 GLU A 27 11.433 7.613 4.163 0.00 5.77 H ATOM 115 HB3 GLU A 27 12.155 6.018 4.335 0.00 5.56 H ATOM 116 HG2 GLU A 27 13.758 7.944 4.321 0.00 5.88 H ATOM 117 HG3 GLU A 27 14.095 6.661 3.158 0.00 5.88 H ATOM 118 N PRO A 28 12.384 5.198 0.535 0.00 3.61 N ATOM 119 CA PRO A 28 13.077 4.084 -0.114 0.00 3.37 C ATOM 120 C PRO A 28 14.259 3.578 0.713 0.00 3.58 C ATOM 121 O PRO A 28 15.346 4.153 0.670 0.00 4.30 O ATOM 122 CB PRO A 28 13.569 4.703 -1.422 0.00 3.54 C ATOM 123 CG PRO A 28 12.577 5.765 -1.734 0.00 3.73 C ATOM 124 CD PRO A 28 12.114 6.303 -0.410 0.00 3.83 C ATOM 125 HA PRO A 28 12.405 3.265 -0.327 0.00 3.30 H ATOM 126 HB2 PRO A 28 14.557 5.116 -1.278 0.00 3.80 H ATOM 127 HB3 PRO A 28 13.595 3.953 -2.194 0.00 3.62 H ATOM 128 HG2 PRO A 28 13.048 6.547 -2.311 0.00 4.23 H ATOM 129 HG3 PRO A 28 11.746 5.343 -2.278 0.00 3.64 H ATOM 130 HD2 PRO A 28 12.680 7.184 -0.143 0.00 4.34 H ATOM 131 HD3 PRO A 28 11.059 6.528 -0.444 0.00 3.87 H ATOM 132 N ALA A 29 14.038 2.506 1.471 0.00 3.15 N ATOM 133 CA ALA A 29 15.088 1.932 2.307 0.00 3.44 C ATOM 134 C ALA A 29 16.010 1.034 1.485 0.00 3.09 C ATOM 135 O ALA A 29 15.564 0.382 0.548 0.00 2.60 O ATOM 136 CB ALA A 29 14.478 1.154 3.461 0.00 3.63 C ATOM 137 H ALA A 29 13.149 2.093 1.468 0.00 2.80 H ATOM 138 HA ALA A 29 15.666 2.747 2.719 0.00 4.16 H ATOM 139 HB1 ALA A 29 13.803 1.794 4.010 0.00 3.79 H ATOM 140 HB2 ALA A 29 13.935 0.306 3.073 0.00 3.99 H ATOM 141 HB3 ALA A 29 15.263 0.809 4.119 0.00 3.80 H ATOM 142 N PRO A 30 17.311 0.977 1.826 0.00 3.70 N ATOM 143 CA PRO A 30 18.280 0.160 1.086 0.00 3.85 C ATOM 144 C PRO A 30 17.873 -1.314 0.956 0.00 3.23 C ATOM 145 O PRO A 30 17.843 -1.838 -0.156 0.00 3.43 O ATOM 146 CB PRO A 30 19.578 0.311 1.885 0.00 4.63 C ATOM 147 CG PRO A 30 19.410 1.577 2.653 0.00 5.21 C ATOM 148 CD PRO A 30 17.941 1.697 2.948 0.00 4.61 C ATOM 149 HA PRO A 30 18.431 0.559 0.094 0.00 4.19 H ATOM 150 HB2 PRO A 30 19.702 -0.538 2.541 0.00 4.41 H ATOM 151 HB3 PRO A 30 20.416 0.371 1.207 0.00 5.14 H ATOM 152 HG2 PRO A 30 19.974 1.525 3.573 0.00 5.67 H ATOM 153 HG3 PRO A 30 19.742 2.414 2.057 0.00 5.73 H ATOM 154 HD2 PRO A 30 17.707 1.225 3.891 0.00 4.63 H ATOM 155 HD3 PRO A 30 17.641 2.734 2.958 0.00 5.02 H ATOM 156 N PRO A 31 17.544 -2.019 2.064 0.00 2.92 N ATOM 157 CA PRO A 31 17.159 -3.429 1.986 0.00 2.74 C ATOM 158 C PRO A 31 15.869 -3.625 1.207 0.00 2.57 C ATOM 159 O PRO A 31 15.548 -4.737 0.795 0.00 3.06 O ATOM 160 CB PRO A 31 16.957 -3.852 3.446 0.00 3.05 C ATOM 161 CG PRO A 31 17.594 -2.783 4.263 0.00 3.34 C ATOM 162 CD PRO A 31 17.501 -1.524 3.452 0.00 3.29 C ATOM 163 HA PRO A 31 17.940 -4.027 1.540 0.00 3.06 H ATOM 164 HB2 PRO A 31 15.900 -3.930 3.655 0.00 3.18 H ATOM 165 HB3 PRO A 31 17.431 -4.809 3.612 0.00 3.33 H ATOM 166 HG2 PRO A 31 17.061 -2.667 5.195 0.00 3.49 H ATOM 167 HG3 PRO A 31 18.629 -3.032 4.450 0.00 3.82 H ATOM 168 HD2 PRO A 31 16.572 -1.012 3.651 0.00 3.23 H ATOM 169 HD3 PRO A 31 18.340 -0.881 3.660 0.00 3.95 H ATOM 170 N GLU A 32 15.131 -2.538 1.008 0.00 2.54 N ATOM 171 CA GLU A 32 13.861 -2.599 0.294 0.00 2.99 C ATOM 172 C GLU A 32 13.264 -1.213 0.089 0.00 2.57 C ATOM 173 O GLU A 32 12.420 -0.767 0.862 0.00 3.29 O ATOM 174 CB GLU A 32 12.861 -3.476 1.051 0.00 3.92 C ATOM 175 CG GLU A 32 13.074 -3.508 2.560 0.00 4.77 C ATOM 176 CD GLU A 32 13.444 -2.157 3.146 0.00 5.59 C ATOM 177 OE1 GLU A 32 12.561 -1.285 3.245 0.00 6.11 O ATOM 178 OE2 GLU A 32 14.621 -1.972 3.506 0.00 5.97 O ATOM 179 H GLU A 32 15.447 -1.674 1.350 0.00 2.71 H ATOM 180 HA GLU A 32 14.050 -3.042 -0.671 0.00 3.53 H ATOM 181 HB2 GLU A 32 11.863 -3.108 0.860 0.00 3.91 H ATOM 182 HB3 GLU A 32 12.936 -4.488 0.679 0.00 4.41 H ATOM 183 HG2 GLU A 32 12.163 -3.843 3.028 0.00 4.75 H ATOM 184 HG3 GLU A 32 13.866 -4.208 2.781 0.00 5.16 H ATOM 185 N HIS A 33 13.697 -0.536 -0.960 0.00 1.94 N ATOM 186 CA HIS A 33 13.192 0.794 -1.256 0.00 2.06 C ATOM 187 C HIS A 33 11.710 0.738 -1.578 0.00 1.69 C ATOM 188 O HIS A 33 10.862 0.797 -0.687 0.00 1.98 O ATOM 189 CB HIS A 33 13.960 1.396 -2.428 0.00 2.62 C ATOM 190 CG HIS A 33 15.414 1.556 -2.151 0.00 3.25 C ATOM 191 ND1 HIS A 33 15.946 2.681 -1.566 0.00 3.97 N ATOM 192 CD2 HIS A 33 16.450 0.717 -2.365 0.00 3.87 C ATOM 193 CE1 HIS A 33 17.248 2.529 -1.432 0.00 4.76 C ATOM 194 NE2 HIS A 33 17.580 1.345 -1.908 0.00 4.72 N ATOM 195 H HIS A 33 14.370 -0.939 -1.549 0.00 1.96 H ATOM 196 HA HIS A 33 13.339 1.410 -0.383 0.00 2.54 H ATOM 197 HB2 HIS A 33 13.855 0.752 -3.288 0.00 2.73 H ATOM 198 HB3 HIS A 33 13.553 2.367 -2.660 0.00 3.18 H ATOM 199 HD1 HIS A 33 15.446 3.474 -1.291 0.00 4.19 H ATOM 200 HD2 HIS A 33 16.398 -0.264 -2.815 0.00 4.04 H ATOM 201 HE1 HIS A 33 17.928 3.253 -1.007 0.00 5.57 H ATOM 202 HE2 HIS A 33 18.462 0.929 -1.818 0.00 5.44 H ATOM 203 N ALA A 34 11.411 0.615 -2.860 0.00 1.20 N ATOM 204 CA ALA A 34 10.044 0.531 -3.326 0.00 0.92 C ATOM 205 C ALA A 34 9.930 -0.569 -4.366 0.00 0.74 C ATOM 206 O ALA A 34 9.648 -0.311 -5.535 0.00 0.92 O ATOM 207 CB ALA A 34 9.591 1.867 -3.895 0.00 1.01 C ATOM 208 H ALA A 34 12.137 0.573 -3.516 0.00 1.19 H ATOM 209 HA ALA A 34 9.414 0.288 -2.481 0.00 1.02 H ATOM 210 HB1 ALA A 34 9.697 2.634 -3.143 0.00 1.66 H ATOM 211 HB2 ALA A 34 8.555 1.797 -4.195 0.00 1.25 H ATOM 212 HB3 ALA A 34 10.197 2.117 -4.753 0.00 1.43 H ATOM 213 N ILE A 35 10.180 -1.798 -3.932 0.00 0.65 N ATOM 214 CA ILE A 35 10.109 -2.949 -4.818 0.00 0.72 C ATOM 215 C ILE A 35 8.661 -3.260 -5.173 0.00 0.67 C ATOM 216 O ILE A 35 7.892 -3.724 -4.333 0.00 0.60 O ATOM 217 CB ILE A 35 10.767 -4.195 -4.178 0.00 0.91 C ATOM 218 CG1 ILE A 35 12.277 -3.993 -4.031 0.00 1.09 C ATOM 219 CG2 ILE A 35 10.485 -5.443 -5.002 0.00 1.10 C ATOM 220 CD1 ILE A 35 12.665 -3.113 -2.865 0.00 1.65 C ATOM 221 H ILE A 35 10.417 -1.934 -2.991 0.00 0.69 H ATOM 222 HA ILE A 35 10.648 -2.707 -5.723 0.00 0.87 H ATOM 223 HB ILE A 35 10.335 -4.338 -3.199 0.00 0.87 H ATOM 224 HG12 ILE A 35 12.750 -4.953 -3.891 0.00 1.44 H ATOM 225 HG13 ILE A 35 12.660 -3.537 -4.932 0.00 1.36 H ATOM 226 HG21 ILE A 35 10.848 -5.299 -6.009 0.00 1.46 H ATOM 227 HG22 ILE A 35 10.988 -6.288 -4.556 0.00 1.76 H ATOM 228 HG23 ILE A 35 9.422 -5.627 -5.025 0.00 1.11 H ATOM 229 HD11 ILE A 35 12.214 -3.494 -1.960 0.00 2.23 H ATOM 230 HD12 ILE A 35 13.740 -3.113 -2.757 0.00 1.80 H ATOM 231 HD13 ILE A 35 12.320 -2.105 -3.043 0.00 2.14 H ATOM 232 N LYS A 36 8.294 -3.003 -6.424 0.00 0.89 N ATOM 233 CA LYS A 36 6.935 -3.260 -6.885 0.00 1.08 C ATOM 234 C LYS A 36 6.700 -4.755 -7.058 0.00 1.24 C ATOM 235 O LYS A 36 5.689 -5.172 -7.621 0.00 2.14 O ATOM 236 CB LYS A 36 6.649 -2.516 -8.197 0.00 1.35 C ATOM 237 CG LYS A 36 7.807 -2.518 -9.185 0.00 1.12 C ATOM 238 CD LYS A 36 8.755 -1.349 -8.951 0.00 1.41 C ATOM 239 CE LYS A 36 8.108 -0.018 -9.299 0.00 2.16 C ATOM 240 NZ LYS A 36 7.709 0.050 -10.731 0.00 2.22 N ATOM 241 H LYS A 36 8.952 -2.640 -7.049 0.00 1.03 H ATOM 242 HA LYS A 36 6.260 -2.894 -6.125 0.00 1.02 H ATOM 243 HB2 LYS A 36 5.798 -2.978 -8.677 0.00 2.24 H ATOM 244 HB3 LYS A 36 6.403 -1.490 -7.967 0.00 1.65 H ATOM 245 HG2 LYS A 36 8.358 -3.440 -9.076 0.00 1.50 H ATOM 246 HG3 LYS A 36 7.410 -2.452 -10.188 0.00 1.62 H ATOM 247 HD2 LYS A 36 9.042 -1.334 -7.911 0.00 1.57 H ATOM 248 HD3 LYS A 36 9.634 -1.484 -9.566 0.00 1.83 H ATOM 249 HE2 LYS A 36 7.230 0.114 -8.684 0.00 2.78 H ATOM 250 HE3 LYS A 36 8.812 0.775 -9.094 0.00 2.75 H ATOM 251 HZ1 LYS A 36 7.132 -0.780 -10.980 0.00 2.44 H ATOM 252 HZ2 LYS A 36 7.153 0.911 -10.908 0.00 2.65 H ATOM 253 HZ3 LYS A 36 8.554 0.065 -11.337 0.00 2.39 H ATOM 254 N MET A 37 7.645 -5.551 -6.561 0.00 0.77 N ATOM 255 CA MET A 37 7.561 -7.004 -6.638 0.00 0.85 C ATOM 256 C MET A 37 7.435 -7.471 -8.083 0.00 1.03 C ATOM 257 O MET A 37 8.433 -7.750 -8.746 0.00 1.74 O ATOM 258 CB MET A 37 6.374 -7.515 -5.816 0.00 0.86 C ATOM 259 CG MET A 37 6.305 -9.030 -5.725 0.00 1.01 C ATOM 260 SD MET A 37 4.629 -9.638 -5.450 0.00 1.08 S ATOM 261 CE MET A 37 4.148 -8.695 -4.006 0.00 1.18 C ATOM 262 H MET A 37 8.425 -5.147 -6.134 0.00 1.04 H ATOM 263 HA MET A 37 8.472 -7.408 -6.222 0.00 1.00 H ATOM 264 HB2 MET A 37 6.448 -7.118 -4.814 0.00 0.94 H ATOM 265 HB3 MET A 37 5.459 -7.160 -6.267 0.00 0.90 H ATOM 266 HG2 MET A 37 6.676 -9.449 -6.649 0.00 1.14 H ATOM 267 HG3 MET A 37 6.930 -9.356 -4.907 0.00 1.14 H ATOM 268 HE1 MET A 37 4.281 -7.642 -4.203 0.00 1.84 H ATOM 269 HE2 MET A 37 3.111 -8.890 -3.780 0.00 1.55 H ATOM 270 HE3 MET A 37 4.761 -8.985 -3.167 0.00 1.76 H ATOM 271 N ASP A 38 6.202 -7.551 -8.562 0.00 1.15 N ATOM 272 CA ASP A 38 5.936 -7.983 -9.923 0.00 1.41 C ATOM 273 C ASP A 38 4.649 -7.346 -10.429 0.00 1.17 C ATOM 274 O ASP A 38 3.733 -8.039 -10.875 0.00 1.57 O ATOM 275 CB ASP A 38 5.829 -9.507 -9.976 0.00 2.00 C ATOM 276 CG ASP A 38 5.936 -10.043 -11.388 0.00 2.68 C ATOM 277 OD1 ASP A 38 4.897 -10.121 -12.074 0.00 3.17 O ATOM 278 OD2 ASP A 38 7.061 -10.387 -11.805 0.00 3.14 O ATOM 279 H ASP A 38 5.448 -7.311 -7.984 0.00 1.54 H ATOM 280 HA ASP A 38 6.757 -7.662 -10.546 0.00 1.83 H ATOM 281 HB2 ASP A 38 6.624 -9.939 -9.387 0.00 2.50 H ATOM 282 HB3 ASP A 38 4.877 -9.810 -9.566 0.00 2.10 H ATOM 283 N SER A 39 4.587 -6.018 -10.352 0.00 1.26 N ATOM 284 CA SER A 39 3.407 -5.281 -10.784 0.00 1.87 C ATOM 285 C SER A 39 2.189 -5.740 -9.989 0.00 1.55 C ATOM 286 O SER A 39 1.274 -6.358 -10.533 0.00 1.88 O ATOM 287 CB SER A 39 3.172 -5.482 -12.283 0.00 2.59 C ATOM 288 OG SER A 39 4.332 -5.157 -13.027 0.00 3.31 O ATOM 289 H SER A 39 5.355 -5.524 -9.996 0.00 1.33 H ATOM 290 HA SER A 39 3.577 -4.233 -10.588 0.00 2.32 H ATOM 291 HB2 SER A 39 2.918 -6.515 -12.470 0.00 2.81 H ATOM 292 HB3 SER A 39 2.360 -4.847 -12.607 0.00 2.88 H ATOM 293 HG SER A 39 4.566 -5.895 -13.594 0.00 3.49 H ATOM 294 N PHE A 40 2.192 -5.436 -8.695 0.00 1.01 N ATOM 295 CA PHE A 40 1.102 -5.838 -7.814 0.00 0.76 C ATOM 296 C PHE A 40 0.170 -4.673 -7.490 0.00 0.81 C ATOM 297 O PHE A 40 -0.316 -4.552 -6.368 0.00 1.57 O ATOM 298 CB PHE A 40 1.667 -6.429 -6.525 0.00 0.67 C ATOM 299 CG PHE A 40 0.992 -7.704 -6.113 0.00 0.67 C ATOM 300 CD1 PHE A 40 -0.129 -7.679 -5.300 0.00 0.69 C ATOM 301 CD2 PHE A 40 1.478 -8.927 -6.541 0.00 0.90 C ATOM 302 CE1 PHE A 40 -0.751 -8.853 -4.920 0.00 0.83 C ATOM 303 CE2 PHE A 40 0.861 -10.104 -6.165 0.00 1.01 C ATOM 304 CZ PHE A 40 -0.256 -10.067 -5.354 0.00 0.92 C ATOM 305 H PHE A 40 2.945 -4.930 -8.323 0.00 0.94 H ATOM 306 HA PHE A 40 0.535 -6.601 -8.324 0.00 0.94 H ATOM 307 HB2 PHE A 40 2.717 -6.639 -6.663 0.00 0.73 H ATOM 308 HB3 PHE A 40 1.548 -5.714 -5.726 0.00 0.69 H ATOM 309 HD1 PHE A 40 -0.518 -6.731 -4.961 0.00 0.77 H ATOM 310 HD2 PHE A 40 2.351 -8.957 -7.176 0.00 1.10 H ATOM 311 HE1 PHE A 40 -1.625 -8.821 -4.285 0.00 0.99 H ATOM 312 HE2 PHE A 40 1.250 -11.052 -6.506 0.00 1.25 H ATOM 313 HZ PHE A 40 -0.740 -10.986 -5.058 0.00 1.07 H ATOM 314 N ARG A 41 -0.075 -3.822 -8.478 0.00 0.57 N ATOM 315 CA ARG A 41 -0.970 -2.679 -8.313 0.00 0.58 C ATOM 316 C ARG A 41 -0.509 -1.715 -7.218 0.00 0.53 C ATOM 317 O ARG A 41 0.277 -0.804 -7.478 0.00 0.73 O ATOM 318 CB ARG A 41 -2.395 -3.157 -8.010 0.00 0.82 C ATOM 319 CG ARG A 41 -3.124 -3.734 -9.214 0.00 1.31 C ATOM 320 CD ARG A 41 -3.273 -2.705 -10.322 0.00 1.58 C ATOM 321 NE ARG A 41 -3.449 -1.357 -9.790 0.00 2.38 N ATOM 322 CZ ARG A 41 -2.764 -0.303 -10.219 0.00 3.22 C ATOM 323 NH1 ARG A 41 -1.884 -0.436 -11.201 0.00 3.32 N ATOM 324 NH2 ARG A 41 -2.962 0.887 -9.670 0.00 4.17 N ATOM 325 H ARG A 41 0.357 -3.965 -9.346 0.00 1.06 H ATOM 326 HA ARG A 41 -0.983 -2.144 -9.249 0.00 0.79 H ATOM 327 HB2 ARG A 41 -2.351 -3.920 -7.247 0.00 1.24 H ATOM 328 HB3 ARG A 41 -2.969 -2.321 -7.637 0.00 1.18 H ATOM 329 HG2 ARG A 41 -2.563 -4.575 -9.592 0.00 1.81 H ATOM 330 HG3 ARG A 41 -4.106 -4.062 -8.904 0.00 1.88 H ATOM 331 HD2 ARG A 41 -2.386 -2.726 -10.939 0.00 1.93 H ATOM 332 HD3 ARG A 41 -4.134 -2.961 -10.921 0.00 1.70 H ATOM 333 HE ARG A 41 -4.104 -1.235 -9.071 0.00 2.57 H ATOM 334 HH11 ARG A 41 -1.734 -1.330 -11.622 0.00 2.84 H ATOM 335 HH12 ARG A 41 -1.369 0.360 -11.522 0.00 4.05 H ATOM 336 HH21 ARG A 41 -3.628 0.993 -8.932 0.00 4.30 H ATOM 337 HH22 ARG A 41 -2.445 1.679 -9.994 0.00 4.86 H ATOM 338 N ASP A 42 -1.003 -1.917 -5.995 1.00 0.39 N ATOM 339 CA ASP A 42 -0.669 -1.032 -4.882 0.00 0.43 C ATOM 340 C ASP A 42 0.119 -1.742 -3.784 1.00 0.38 C ATOM 341 O ASP A 42 0.074 -1.330 -2.627 0.00 0.46 O ATOM 342 CB ASP A 42 -1.951 -0.450 -4.282 0.00 0.57 C ATOM 343 CG ASP A 42 -2.929 0.017 -5.341 0.00 0.65 C ATOM 344 OD1 ASP A 42 -3.727 -0.816 -5.821 0.00 0.69 O ATOM 345 OD2 ASP A 42 -2.900 1.216 -5.689 0.00 0.94 O ATOM 346 H ASP A 42 -1.601 -2.678 -5.839 0.00 0.37 H ATOM 347 HA ASP A 42 -0.072 -0.224 -5.271 0.00 0.50 H ATOM 348 HB2 ASP A 42 -2.435 -1.205 -3.681 0.00 0.62 H ATOM 349 HB3 ASP A 42 -1.696 0.394 -3.657 0.00 0.66 H ATOM 350 N VAL A 43 0.847 -2.795 -4.138 1.00 0.36 N ATOM 351 CA VAL A 43 1.628 -3.528 -3.147 1.00 0.33 C ATOM 352 C VAL A 43 3.125 -3.426 -3.423 1.00 0.27 C ATOM 353 O VAL A 43 3.626 -3.947 -4.419 0.00 0.29 O ATOM 354 CB VAL A 43 1.218 -5.012 -3.083 0.00 0.46 C ATOM 355 CG1 VAL A 43 1.952 -5.722 -1.956 0.00 0.63 C ATOM 356 CG2 VAL A 43 -0.287 -5.140 -2.909 0.00 0.75 C ATOM 357 H VAL A 43 0.860 -3.082 -5.075 0.00 0.44 H ATOM 358 HA VAL A 43 1.428 -3.086 -2.181 0.00 0.33 H ATOM 359 HB VAL A 43 1.494 -5.483 -4.013 0.00 0.94 H ATOM 360 HG11 VAL A 43 1.755 -5.215 -1.022 0.00 1.34 H ATOM 361 HG12 VAL A 43 1.607 -6.743 -1.890 0.00 1.26 H ATOM 362 HG13 VAL A 43 3.014 -5.712 -2.154 0.00 1.19 H ATOM 363 HG21 VAL A 43 -0.787 -4.643 -3.728 0.00 1.47 H ATOM 364 HG22 VAL A 43 -0.561 -6.185 -2.901 0.00 1.28 H ATOM 365 HG23 VAL A 43 -0.583 -4.682 -1.977 0.00 1.25 H ATOM 366 N TRP A 44 3.827 -2.744 -2.524 1.00 0.28 N ATOM 367 CA TRP A 44 5.270 -2.561 -2.636 1.00 0.29 C ATOM 368 C TRP A 44 5.974 -3.137 -1.409 1.00 0.29 C ATOM 369 O TRP A 44 5.557 -2.895 -0.276 0.00 0.33 O ATOM 370 CB TRP A 44 5.604 -1.075 -2.767 0.00 0.43 C ATOM 371 CG TRP A 44 5.589 -0.561 -4.175 0.00 0.55 C ATOM 372 CD1 TRP A 44 6.651 -0.503 -5.027 0.00 1.08 C ATOM 373 CD2 TRP A 44 4.471 -0.017 -4.893 0.00 0.36 C ATOM 374 NE1 TRP A 44 6.267 0.035 -6.230 0.00 1.16 N ATOM 375 CE2 TRP A 44 4.936 0.343 -6.174 0.00 0.70 C ATOM 376 CE3 TRP A 44 3.125 0.200 -4.582 0.00 0.57 C ATOM 377 CZ2 TRP A 44 4.105 0.905 -7.139 0.00 0.69 C ATOM 378 CZ3 TRP A 44 2.302 0.759 -5.543 0.00 0.77 C ATOM 379 CH2 TRP A 44 2.794 1.105 -6.807 0.00 0.62 C ATOM 380 H TRP A 44 3.360 -2.351 -1.759 0.00 0.32 H ATOM 381 HA TRP A 44 5.609 -3.083 -3.517 0.00 0.33 H ATOM 382 HB2 TRP A 44 4.884 -0.507 -2.202 0.00 0.45 H ATOM 383 HB3 TRP A 44 6.590 -0.900 -2.359 0.00 0.57 H ATOM 384 HD1 TRP A 44 7.644 -0.839 -4.779 0.00 1.43 H ATOM 385 HE1 TRP A 44 6.853 0.176 -7.003 0.00 1.54 H ATOM 386 HE3 TRP A 44 2.725 -0.061 -3.614 0.00 0.84 H ATOM 387 HZ2 TRP A 44 4.468 1.177 -8.118 0.00 0.97 H ATOM 388 HZ3 TRP A 44 1.260 0.935 -5.321 0.00 1.18 H ATOM 389 HH2 TRP A 44 2.115 1.540 -7.525 0.00 0.79 H ATOM 390 N MET A 45 7.040 -3.897 -1.638 1.00 0.33 N ATOM 391 CA MET A 45 7.795 -4.503 -0.546 1.00 0.34 C ATOM 392 C MET A 45 8.551 -3.442 0.250 1.00 0.33 C ATOM 393 O MET A 45 9.521 -2.860 -0.238 0.00 0.39 O ATOM 394 CB MET A 45 8.780 -5.540 -1.090 0.00 0.42 C ATOM 395 CG MET A 45 9.549 -6.276 -0.003 0.00 0.46 C ATOM 396 SD MET A 45 10.841 -7.346 -0.666 0.00 0.70 S ATOM 397 CE MET A 45 9.870 -8.497 -1.635 0.00 1.31 C ATOM 398 H MET A 45 7.324 -4.056 -2.560 0.00 0.36 H ATOM 399 HA MET A 45 7.092 -4.995 0.108 0.00 0.34 H ATOM 400 HB2 MET A 45 8.234 -6.269 -1.671 0.00 0.49 H ATOM 401 HB3 MET A 45 9.493 -5.042 -1.730 0.00 0.46 H ATOM 402 HG2 MET A 45 10.006 -5.549 0.650 0.00 0.43 H ATOM 403 HG3 MET A 45 8.856 -6.881 0.563 0.00 0.48 H ATOM 404 HE1 MET A 45 9.152 -8.989 -0.996 0.00 1.88 H ATOM 405 HE2 MET A 45 9.351 -7.962 -2.416 0.00 1.82 H ATOM 406 HE3 MET A 45 10.524 -9.236 -2.077 0.00 1.91 H ATOM 407 N LEU A 46 8.101 -3.195 1.478 1.00 0.31 N ATOM 408 CA LEU A 46 8.742 -2.209 2.342 1.00 0.35 C ATOM 409 C LEU A 46 9.151 -2.834 3.676 1.00 0.38 C ATOM 410 O LEU A 46 8.335 -3.443 4.367 0.00 0.38 O ATOM 411 CB LEU A 46 7.808 -1.019 2.577 0.00 0.45 C ATOM 412 CG LEU A 46 8.474 0.356 2.476 0.00 0.65 C ATOM 413 CD1 LEU A 46 7.426 1.451 2.371 0.00 1.25 C ATOM 414 CD2 LEU A 46 9.378 0.602 3.673 0.00 1.75 C ATOM 415 H LEU A 46 7.319 -3.683 1.809 0.00 0.32 H ATOM 416 HA LEU A 46 9.630 -1.860 1.838 0.00 0.44 H ATOM 417 HB2 LEU A 46 7.010 -1.064 1.851 0.00 0.80 H ATOM 418 HB3 LEU A 46 7.380 -1.113 3.564 0.00 0.83 H ATOM 419 HG LEU A 46 9.082 0.390 1.584 0.00 1.28 H ATOM 420 HD11 LEU A 46 6.787 1.421 3.241 0.00 1.63 H ATOM 421 HD12 LEU A 46 7.914 2.413 2.316 0.00 1.76 H ATOM 422 HD13 LEU A 46 6.833 1.296 1.483 0.00 1.92 H ATOM 423 HD21 LEU A 46 10.095 -0.203 3.754 0.00 2.36 H ATOM 424 HD22 LEU A 46 9.901 1.538 3.543 0.00 2.17 H ATOM 425 HD23 LEU A 46 8.782 0.645 4.573 0.00 2.29 H ATOM 426 N ARG A 47 10.428 -2.677 4.016 0.00 0.56 N ATOM 427 CA ARG A 47 10.990 -3.212 5.257 0.00 0.70 C ATOM 428 C ARG A 47 10.932 -4.735 5.283 0.00 0.62 C ATOM 429 O ARG A 47 10.954 -5.349 6.350 0.00 0.90 O ATOM 430 CB ARG A 47 10.268 -2.635 6.476 0.00 0.82 C ATOM 431 CG ARG A 47 10.434 -1.132 6.618 0.00 1.31 C ATOM 432 CD ARG A 47 9.979 -0.643 7.982 0.00 1.37 C ATOM 433 NE ARG A 47 10.816 -1.164 9.058 0.00 1.98 N ATOM 434 CZ ARG A 47 11.823 -0.488 9.602 0.00 2.57 C ATOM 435 NH1 ARG A 47 12.134 0.723 9.157 0.00 2.93 N ATOM 436 NH2 ARG A 47 12.524 -1.025 10.590 0.00 3.31 N ATOM 437 H ARG A 47 11.014 -2.185 3.409 0.00 0.67 H ATOM 438 HA ARG A 47 12.027 -2.912 5.297 0.00 0.85 H ATOM 439 HB2 ARG A 47 9.215 -2.855 6.395 0.00 1.23 H ATOM 440 HB3 ARG A 47 10.659 -3.104 7.367 0.00 1.02 H ATOM 441 HG2 ARG A 47 11.476 -0.880 6.487 0.00 2.02 H ATOM 442 HG3 ARG A 47 9.846 -0.642 5.856 0.00 1.92 H ATOM 443 HD2 ARG A 47 10.022 0.436 7.997 0.00 1.76 H ATOM 444 HD3 ARG A 47 8.960 -0.964 8.142 0.00 1.81 H ATOM 445 HE ARG A 47 10.613 -2.061 9.397 0.00 2.38 H ATOM 446 HH11 ARG A 47 11.611 1.131 8.409 0.00 2.87 H ATOM 447 HH12 ARG A 47 12.892 1.228 9.570 0.00 3.58 H ATOM 448 HH21 ARG A 47 12.296 -1.939 10.926 0.00 3.61 H ATOM 449 HH22 ARG A 47 13.282 -0.516 11.000 0.00 3.79 H ATOM 450 N GLY A 48 10.877 -5.342 4.102 1.00 0.41 N ATOM 451 CA GLY A 48 10.825 -6.789 4.015 0.00 0.43 C ATOM 452 C GLY A 48 9.408 -7.311 3.908 1.00 0.38 C ATOM 453 O GLY A 48 9.184 -8.431 3.447 0.00 0.48 O ATOM 454 H GLY A 48 10.870 -4.803 3.283 0.00 0.47 H ATOM 455 HA2 GLY A 48 11.284 -7.208 4.898 0.00 0.52 H ATOM 456 HA3 GLY A 48 11.382 -7.108 3.147 0.00 0.50 H ATOM 457 N LYS A 49 8.450 -6.496 4.337 1.00 0.30 N ATOM 458 CA LYS A 49 7.045 -6.875 4.288 1.00 0.28 C ATOM 459 C LYS A 49 6.359 -6.231 3.091 1.00 0.18 C ATOM 460 O LYS A 49 7.006 -5.571 2.279 0.00 0.19 O ATOM 461 CB LYS A 49 6.348 -6.473 5.586 0.00 0.39 C ATOM 462 CG LYS A 49 6.933 -7.152 6.813 0.00 0.57 C ATOM 463 CD LYS A 49 6.362 -6.579 8.097 0.00 0.78 C ATOM 464 CE LYS A 49 6.935 -7.283 9.315 0.00 1.28 C ATOM 465 NZ LYS A 49 6.502 -6.639 10.585 0.00 1.82 N ATOM 466 H LYS A 49 8.695 -5.617 4.694 0.00 0.34 H ATOM 467 HA LYS A 49 6.997 -7.948 4.181 0.00 0.34 H ATOM 468 HB2 LYS A 49 6.435 -5.404 5.714 0.00 0.43 H ATOM 469 HB3 LYS A 49 5.303 -6.737 5.519 0.00 0.44 H ATOM 470 HG2 LYS A 49 6.706 -8.206 6.771 0.00 0.62 H ATOM 471 HG3 LYS A 49 8.005 -7.013 6.811 0.00 0.60 H ATOM 472 HD2 LYS A 49 6.607 -5.528 8.153 0.00 1.09 H ATOM 473 HD3 LYS A 49 5.289 -6.702 8.089 0.00 1.02 H ATOM 474 HE2 LYS A 49 6.600 -8.309 9.312 0.00 1.79 H ATOM 475 HE3 LYS A 49 8.014 -7.258 9.257 0.00 1.83 H ATOM 476 HZ1 LYS A 49 5.464 -6.593 10.626 0.00 2.18 H ATOM 477 HZ2 LYS A 49 6.847 -7.188 11.399 0.00 2.42 H ATOM 478 HZ3 LYS A 49 6.884 -5.674 10.644 0.00 2.12 H ATOM 479 N TYR A 50 5.050 -6.424 2.981 1.00 0.20 N ATOM 480 CA TYR A 50 4.295 -5.866 1.867 1.00 0.18 C ATOM 481 C TYR A 50 3.341 -4.771 2.334 1.00 0.23 C ATOM 482 O TYR A 50 2.345 -5.042 3.003 0.00 0.29 O ATOM 483 CB TYR A 50 3.525 -6.976 1.151 0.00 0.24 C ATOM 484 CG TYR A 50 4.415 -8.092 0.651 0.00 0.35 C ATOM 485 CD1 TYR A 50 5.196 -7.928 -0.486 0.00 0.45 C ATOM 486 CD2 TYR A 50 4.479 -9.308 1.321 0.00 0.46 C ATOM 487 CE1 TYR A 50 6.015 -8.943 -0.942 0.00 0.59 C ATOM 488 CE2 TYR A 50 5.297 -10.327 0.872 0.00 0.58 C ATOM 489 CZ TYR A 50 6.062 -10.140 -0.260 0.00 0.63 C ATOM 490 OH TYR A 50 6.877 -11.151 -0.711 0.00 0.79 O ATOM 491 H TYR A 50 4.584 -6.952 3.663 0.00 0.27 H ATOM 492 HA TYR A 50 5.004 -5.434 1.177 0.00 0.15 H ATOM 493 HB2 TYR A 50 2.804 -7.404 1.831 0.00 0.26 H ATOM 494 HB3 TYR A 50 3.009 -6.556 0.301 0.00 0.27 H ATOM 495 HD1 TYR A 50 5.157 -6.989 -1.018 0.00 0.47 H ATOM 496 HD2 TYR A 50 3.878 -9.452 2.206 0.00 0.48 H ATOM 497 HE1 TYR A 50 6.615 -8.796 -1.828 0.00 0.69 H ATOM 498 HE2 TYR A 50 5.334 -11.264 1.407 0.00 0.68 H ATOM 499 HH TYR A 50 6.389 -11.979 -0.712 0.00 1.33 H ATOM 500 N VAL A 51 3.658 -3.532 1.968 1.00 0.23 N ATOM 501 CA VAL A 51 2.839 -2.383 2.339 1.00 0.27 C ATOM 502 C VAL A 51 2.001 -1.909 1.152 1.00 0.19 C ATOM 503 O VAL A 51 2.353 -2.154 -0.002 0.00 0.24 O ATOM 504 CB VAL A 51 3.716 -1.220 2.844 0.00 0.44 C ATOM 505 CG1 VAL A 51 2.859 -0.084 3.381 0.00 0.99 C ATOM 506 CG2 VAL A 51 4.688 -1.708 3.908 0.00 1.03 C ATOM 507 H VAL A 51 4.466 -3.385 1.433 0.00 0.21 H ATOM 508 HA VAL A 51 2.179 -2.686 3.139 0.00 0.37 H ATOM 509 HB VAL A 51 4.291 -0.842 2.012 0.00 1.20 H ATOM 510 HG11 VAL A 51 2.213 -0.458 4.162 0.00 1.51 H ATOM 511 HG12 VAL A 51 3.497 0.690 3.781 0.00 1.59 H ATOM 512 HG13 VAL A 51 2.258 0.323 2.581 0.00 1.64 H ATOM 513 HG21 VAL A 51 5.290 -2.509 3.505 0.00 1.48 H ATOM 514 HG22 VAL A 51 5.328 -0.893 4.212 0.00 1.73 H ATOM 515 HG23 VAL A 51 4.134 -2.069 4.762 0.00 1.62 H ATOM 516 N ALA A 52 0.893 -1.232 1.443 1.00 0.21 N ATOM 517 CA ALA A 52 0.006 -0.728 0.400 1.00 0.27 C ATOM 518 C ALA A 52 -0.122 0.790 0.470 1.00 0.24 C ATOM 519 O ALA A 52 -0.119 1.371 1.555 0.00 0.24 O ATOM 520 CB ALA A 52 -1.364 -1.381 0.513 0.00 0.38 C ATOM 521 H ALA A 52 0.671 -1.061 2.381 0.00 0.24 H ATOM 522 HA ALA A 52 0.430 -0.999 -0.555 0.00 0.34 H ATOM 523 HB1 ALA A 52 -1.256 -2.455 0.461 0.00 1.04 H ATOM 524 HB2 ALA A 52 -1.814 -1.110 1.457 0.00 1.08 H ATOM 525 HB3 ALA A 52 -1.993 -1.042 -0.297 0.00 1.10 H ATOM 526 N PHE A 53 -0.233 1.427 -0.693 1.00 0.28 N ATOM 527 CA PHE A 53 -0.360 2.880 -0.761 1.00 0.28 C ATOM 528 C PHE A 53 -1.583 3.290 -1.573 1.00 0.30 C ATOM 529 O PHE A 53 -1.583 3.195 -2.800 0.00 0.37 O ATOM 530 CB PHE A 53 0.891 3.500 -1.385 0.00 0.36 C ATOM 531 CG PHE A 53 2.175 2.918 -0.874 0.00 0.33 C ATOM 532 CD1 PHE A 53 2.517 3.019 0.465 0.00 0.30 C ATOM 533 CD2 PHE A 53 3.040 2.269 -1.736 0.00 0.40 C ATOM 534 CE1 PHE A 53 3.701 2.481 0.933 0.00 0.32 C ATOM 535 CE2 PHE A 53 4.224 1.731 -1.275 0.00 0.44 C ATOM 536 CZ PHE A 53 4.555 1.835 0.061 0.00 0.39 C ATOM 537 H PHE A 53 -0.227 0.908 -1.525 0.00 0.33 H ATOM 538 HA PHE A 53 -0.470 3.251 0.247 0.00 0.26 H ATOM 539 HB2 PHE A 53 0.864 3.349 -2.454 0.00 0.45 H ATOM 540 HB3 PHE A 53 0.900 4.560 -1.176 0.00 0.40 H ATOM 541 HD1 PHE A 53 1.848 3.524 1.146 0.00 0.31 H ATOM 542 HD2 PHE A 53 2.782 2.186 -2.781 0.00 0.47 H ATOM 543 HE1 PHE A 53 3.957 2.565 1.980 0.00 0.34 H ATOM 544 HE2 PHE A 53 4.890 1.229 -1.959 0.00 0.53 H ATOM 545 HZ PHE A 53 5.481 1.414 0.423 0.00 0.44 H ATOM 546 N VAL A 54 -2.621 3.747 -0.880 1.00 0.30 N ATOM 547 CA VAL A 54 -3.848 4.185 -1.533 1.00 0.39 C ATOM 548 C VAL A 54 -4.843 4.724 -0.512 0.00 0.60 C ATOM 549 O VAL A 54 -5.219 4.027 0.429 0.00 1.11 O ATOM 550 CB VAL A 54 -4.507 3.046 -2.338 0.00 0.63 C ATOM 551 CG1 VAL A 54 -4.774 1.836 -1.454 0.00 1.02 C ATOM 552 CG2 VAL A 54 -5.788 3.533 -2.994 0.00 1.57 C ATOM 553 H VAL A 54 -2.562 3.787 0.098 0.00 0.30 H ATOM 554 HA VAL A 54 -3.591 4.980 -2.220 0.00 0.75 H ATOM 555 HB VAL A 54 -3.824 2.745 -3.119 0.00 1.39 H ATOM 556 HG11 VAL A 54 -3.843 1.483 -1.036 0.00 1.62 H ATOM 557 HG12 VAL A 54 -5.444 2.114 -0.655 0.00 1.51 H ATOM 558 HG13 VAL A 54 -5.224 1.052 -2.045 0.00 1.70 H ATOM 559 HG21 VAL A 54 -5.564 4.362 -3.649 0.00 2.08 H ATOM 560 HG22 VAL A 54 -6.228 2.731 -3.566 0.00 1.97 H ATOM 561 HG23 VAL A 54 -6.483 3.855 -2.232 0.00 2.09 H ATOM 562 N LEU A 55 -5.267 5.968 -0.700 0.00 1.09 N ATOM 563 CA LEU A 55 -6.216 6.588 0.216 0.00 1.36 C ATOM 564 C LEU A 55 -7.497 6.988 -0.498 0.00 1.09 C ATOM 565 O LEU A 55 -7.508 7.194 -1.712 0.00 1.45 O ATOM 566 CB LEU A 55 -5.595 7.818 0.878 0.00 2.28 C ATOM 567 CG LEU A 55 -6.501 8.540 1.875 0.00 2.76 C ATOM 568 CD1 LEU A 55 -5.749 8.835 3.162 0.00 3.41 C ATOM 569 CD2 LEU A 55 -7.044 9.821 1.263 0.00 3.15 C ATOM 570 H LEU A 55 -4.936 6.479 -1.468 0.00 1.55 H ATOM 571 HA LEU A 55 -6.456 5.865 0.981 0.00 1.48 H ATOM 572 HB2 LEU A 55 -4.697 7.511 1.393 0.00 2.74 H ATOM 573 HB3 LEU A 55 -5.325 8.518 0.102 0.00 2.45 H ATOM 574 HG LEU A 55 -7.339 7.903 2.117 0.00 2.85 H ATOM 575 HD11 LEU A 55 -4.686 8.764 2.982 0.00 3.85 H ATOM 576 HD12 LEU A 55 -5.991 9.831 3.501 0.00 3.71 H ATOM 577 HD13 LEU A 55 -6.033 8.117 3.918 0.00 3.66 H ATOM 578 HD21 LEU A 55 -7.541 9.593 0.332 0.00 3.59 H ATOM 579 HD22 LEU A 55 -7.747 10.276 1.944 0.00 3.66 H ATOM 580 HD23 LEU A 55 -6.230 10.505 1.076 0.00 2.99 H ATOM 581 N MET A 56 -8.575 7.098 0.269 0.00 0.97 N ATOM 582 CA MET A 56 -9.862 7.490 -0.279 0.00 1.20 C ATOM 583 C MET A 56 -10.003 9.009 -0.255 0.00 1.46 C ATOM 584 O MET A 56 -10.586 9.582 0.665 0.00 1.59 O ATOM 585 CB MET A 56 -11.012 6.829 0.492 0.00 1.46 C ATOM 586 CG MET A 56 -10.955 7.025 2.001 0.00 1.53 C ATOM 587 SD MET A 56 -9.784 5.921 2.810 0.00 2.19 S ATOM 588 CE MET A 56 -10.049 6.342 4.530 0.00 2.12 C ATOM 589 H MET A 56 -8.500 6.913 1.227 0.00 1.11 H ATOM 590 HA MET A 56 -9.894 7.159 -1.307 0.00 1.33 H ATOM 591 HB2 MET A 56 -11.945 7.237 0.135 0.00 1.87 H ATOM 592 HB3 MET A 56 -10.996 5.768 0.290 0.00 2.15 H ATOM 593 HG2 MET A 56 -10.665 8.044 2.208 0.00 2.04 H ATOM 594 HG3 MET A 56 -11.939 6.845 2.409 0.00 1.88 H ATOM 595 HE1 MET A 56 -11.082 6.163 4.789 0.00 2.45 H ATOM 596 HE2 MET A 56 -9.411 5.732 5.153 0.00 2.18 H ATOM 597 HE3 MET A 56 -9.813 7.384 4.687 0.00 2.60 H ATOM 598 N GLY A 57 -9.448 9.656 -1.270 0.00 1.79 N ATOM 599 CA GLY A 57 -9.510 11.100 -1.351 0.00 2.16 C ATOM 600 C GLY A 57 -8.436 11.671 -2.251 0.00 2.37 C ATOM 601 O GLY A 57 -8.707 12.025 -3.399 0.00 2.69 O ATOM 602 H GLY A 57 -8.994 9.147 -1.974 0.00 1.91 H ATOM 603 HA2 GLY A 57 -9.390 11.511 -0.359 0.00 2.26 H ATOM 604 HA3 GLY A 57 -10.479 11.388 -1.734 0.00 2.27 H ATOM 605 N GLU A 58 -7.211 11.752 -1.738 0.00 2.47 N ATOM 606 CA GLU A 58 -6.098 12.294 -2.511 0.00 2.75 C ATOM 607 C GLU A 58 -4.761 12.066 -1.811 0.00 2.58 C ATOM 608 O GLU A 58 -3.718 12.508 -2.293 0.00 2.85 O ATOM 609 CB GLU A 58 -6.307 13.788 -2.752 0.00 3.29 C ATOM 610 CG GLU A 58 -6.687 14.556 -1.498 0.00 3.52 C ATOM 611 CD GLU A 58 -6.942 16.024 -1.771 0.00 4.04 C ATOM 612 OE1 GLU A 58 -7.784 16.327 -2.642 0.00 4.30 O ATOM 613 OE2 GLU A 58 -6.299 16.869 -1.117 0.00 4.46 O ATOM 614 H GLU A 58 -7.052 11.440 -0.822 0.00 2.55 H ATOM 615 HA GLU A 58 -6.081 11.786 -3.463 0.00 2.80 H ATOM 616 HB2 GLU A 58 -5.393 14.209 -3.143 0.00 3.44 H ATOM 617 HB3 GLU A 58 -7.094 13.918 -3.481 0.00 3.74 H ATOM 618 HG2 GLU A 58 -7.584 14.122 -1.083 0.00 3.80 H ATOM 619 HG3 GLU A 58 -5.883 14.472 -0.781 0.00 3.49 H ATOM 620 N SER A 59 -4.791 11.376 -0.675 0.00 2.22 N ATOM 621 CA SER A 59 -3.572 11.099 0.078 0.00 2.10 C ATOM 622 C SER A 59 -3.098 9.671 -0.172 0.00 1.73 C ATOM 623 O SER A 59 -3.585 8.997 -1.081 0.00 1.74 O ATOM 624 CB SER A 59 -3.809 11.312 1.574 0.00 2.18 C ATOM 625 OG SER A 59 -4.574 12.479 1.810 0.00 2.84 O ATOM 626 H SER A 59 -5.649 11.046 -0.338 0.00 2.09 H ATOM 627 HA SER A 59 -2.809 11.784 -0.259 0.00 2.30 H ATOM 628 HB2 SER A 59 -4.337 10.464 1.976 0.00 2.24 H ATOM 629 HB3 SER A 59 -2.857 11.413 2.076 0.00 2.38 H ATOM 630 HG SER A 59 -5.350 12.473 1.244 0.00 3.22 H ATOM 631 N PHE A 60 -2.140 9.218 0.631 0.00 1.47 N ATOM 632 CA PHE A 60 -1.606 7.867 0.499 0.00 1.16 C ATOM 633 C PHE A 60 -1.237 7.288 1.860 0.00 0.95 C ATOM 634 O PHE A 60 -0.076 7.344 2.266 0.00 1.15 O ATOM 635 CB PHE A 60 -0.363 7.858 -0.395 0.00 1.33 C ATOM 636 CG PHE A 60 -0.603 8.353 -1.790 0.00 1.69 C ATOM 637 CD1 PHE A 60 -1.029 7.485 -2.780 0.00 2.17 C ATOM 638 CD2 PHE A 60 -0.396 9.685 -2.113 0.00 2.00 C ATOM 639 CE1 PHE A 60 -1.246 7.935 -4.067 0.00 3.00 C ATOM 640 CE2 PHE A 60 -0.611 10.141 -3.399 0.00 2.65 C ATOM 641 CZ PHE A 60 -1.037 9.265 -4.378 0.00 3.20 C ATOM 642 H PHE A 60 -1.783 9.807 1.329 0.00 1.53 H ATOM 643 HA PHE A 60 -2.368 7.249 0.050 0.00 1.09 H ATOM 644 HB2 PHE A 60 0.394 8.484 0.051 0.00 1.76 H ATOM 645 HB3 PHE A 60 0.012 6.847 -0.462 0.00 1.40 H ATOM 646 HD1 PHE A 60 -1.193 6.445 -2.539 0.00 2.04 H ATOM 647 HD2 PHE A 60 -0.062 10.371 -1.348 0.00 1.95 H ATOM 648 HE1 PHE A 60 -1.580 7.248 -4.831 0.00 3.57 H ATOM 649 HE2 PHE A 60 -0.447 11.181 -3.640 0.00 2.87 H ATOM 650 HZ PHE A 60 -1.207 9.618 -5.384 0.00 3.87 H ATOM 651 N LEU A 61 -2.217 6.747 2.576 0.00 0.66 N ATOM 652 CA LEU A 61 -1.939 6.154 3.878 0.00 0.72 C ATOM 653 C LEU A 61 -1.415 4.729 3.699 0.00 0.60 C ATOM 654 O LEU A 61 -1.996 3.923 2.972 0.00 0.60 O ATOM 655 CB LEU A 61 -3.167 6.224 4.814 0.00 0.93 C ATOM 656 CG LEU A 61 -4.367 5.303 4.524 0.00 0.95 C ATOM 657 CD1 LEU A 61 -4.679 5.218 3.041 0.00 1.86 C ATOM 658 CD2 LEU A 61 -4.148 3.921 5.119 0.00 1.33 C ATOM 659 H LEU A 61 -3.132 6.752 2.227 0.00 0.56 H ATOM 660 HA LEU A 61 -1.144 6.739 4.319 0.00 0.89 H ATOM 661 HB2 LEU A 61 -2.827 6.006 5.814 0.00 1.66 H ATOM 662 HB3 LEU A 61 -3.526 7.244 4.802 0.00 1.65 H ATOM 663 HG LEU A 61 -5.238 5.724 5.006 0.00 1.72 H ATOM 664 HD11 LEU A 61 -3.798 4.909 2.501 0.00 2.28 H ATOM 665 HD12 LEU A 61 -5.470 4.500 2.879 0.00 2.46 H ATOM 666 HD13 LEU A 61 -4.996 6.186 2.687 0.00 2.26 H ATOM 667 HD21 LEU A 61 -3.973 4.011 6.182 0.00 1.78 H ATOM 668 HD22 LEU A 61 -5.025 3.314 4.950 0.00 1.78 H ATOM 669 HD23 LEU A 61 -3.293 3.457 4.653 0.00 1.88 H ATOM 670 N ARG A 62 -0.291 4.438 4.343 0.00 0.60 N ATOM 671 CA ARG A 62 0.340 3.128 4.229 0.00 0.55 C ATOM 672 C ARG A 62 -0.254 2.117 5.203 0.00 0.56 C ATOM 673 O ARG A 62 -0.634 2.459 6.324 0.00 0.71 O ATOM 674 CB ARG A 62 1.848 3.253 4.457 0.00 0.61 C ATOM 675 CG ARG A 62 2.214 3.740 5.848 0.00 0.71 C ATOM 676 CD ARG A 62 3.690 4.087 5.947 0.00 0.88 C ATOM 677 NE ARG A 62 4.548 2.945 5.648 0.00 1.69 N ATOM 678 CZ ARG A 62 5.868 2.951 5.816 0.00 2.11 C ATOM 679 NH1 ARG A 62 6.479 4.034 6.278 0.00 1.81 N ATOM 680 NH2 ARG A 62 6.578 1.872 5.522 0.00 3.13 N ATOM 681 H ARG A 62 0.125 5.121 4.910 0.00 0.69 H ATOM 682 HA ARG A 62 0.173 2.773 3.224 0.00 0.50 H ATOM 683 HB2 ARG A 62 2.305 2.287 4.305 0.00 0.63 H ATOM 684 HB3 ARG A 62 2.252 3.950 3.738 0.00 0.69 H ATOM 685 HG2 ARG A 62 1.632 4.620 6.076 0.00 0.80 H ATOM 686 HG3 ARG A 62 1.987 2.962 6.563 0.00 0.70 H ATOM 687 HD2 ARG A 62 3.907 4.880 5.247 0.00 0.80 H ATOM 688 HD3 ARG A 62 3.898 4.429 6.951 0.00 1.51 H ATOM 689 HE ARG A 62 4.120 2.133 5.306 0.00 2.24 H ATOM 690 HH11 ARG A 62 5.948 4.850 6.504 0.00 1.53 H ATOM 691 HH12 ARG A 62 7.471 4.032 6.403 0.00 2.24 H ATOM 692 HH21 ARG A 62 6.121 1.052 5.176 0.00 3.66 H ATOM 693 HH22 ARG A 62 7.570 1.877 5.646 0.00 3.47 H ATOM 694 N SER A 63 -0.328 0.867 4.755 0.00 0.44 N ATOM 695 CA SER A 63 -0.860 -0.219 5.568 0.00 0.46 C ATOM 696 C SER A 63 0.178 -0.673 6.594 0.00 0.44 C ATOM 697 O SER A 63 1.365 -0.381 6.446 0.00 0.45 O ATOM 698 CB SER A 63 -1.262 -1.395 4.674 0.00 0.50 C ATOM 699 OG SER A 63 -0.149 -1.894 3.956 0.00 0.56 O ATOM 700 H SER A 63 -0.016 0.670 3.846 0.00 0.37 H ATOM 701 HA SER A 63 -1.732 0.148 6.088 0.00 0.53 H ATOM 702 HB2 SER A 63 -1.663 -2.189 5.286 0.00 0.86 H ATOM 703 HB3 SER A 63 -2.013 -1.070 3.970 0.00 0.70 H ATOM 704 HG SER A 63 0.364 -2.476 4.522 0.00 1.11 H ATOM 705 N PRO A 64 -0.249 -1.395 7.651 0.00 0.47 N ATOM 706 CA PRO A 64 0.667 -1.883 8.692 0.00 0.54 C ATOM 707 C PRO A 64 1.623 -2.963 8.187 0.00 0.68 C ATOM 708 O PRO A 64 2.304 -3.612 8.981 0.00 1.60 O ATOM 709 CB PRO A 64 -0.273 -2.459 9.754 0.00 0.61 C ATOM 710 CG PRO A 64 -1.513 -2.813 9.011 0.00 0.75 C ATOM 711 CD PRO A 64 -1.649 -1.780 7.929 0.00 0.54 C ATOM 712 HA PRO A 64 1.240 -1.073 9.120 0.00 0.56 H ATOM 713 HB2 PRO A 64 0.180 -3.330 10.206 0.00 0.84 H ATOM 714 HB3 PRO A 64 -0.467 -1.713 10.510 0.00 0.78 H ATOM 715 HG2 PRO A 64 -1.416 -3.799 8.580 0.00 1.11 H ATOM 716 HG3 PRO A 64 -2.364 -2.774 9.675 0.00 1.14 H ATOM 717 HD2 PRO A 64 -2.113 -2.210 7.054 0.00 0.59 H ATOM 718 HD3 PRO A 64 -2.218 -0.934 8.284 0.00 0.63 H ATOM 719 N ALA A 65 1.670 -3.148 6.867 0.00 0.51 N ATOM 720 CA ALA A 65 2.545 -4.145 6.251 0.00 0.43 C ATOM 721 C ALA A 65 2.130 -5.566 6.626 1.00 0.42 C ATOM 722 O ALA A 65 2.153 -5.944 7.797 0.00 0.61 O ATOM 723 CB ALA A 65 3.997 -3.897 6.636 0.00 0.46 C ATOM 724 H ALA A 65 1.100 -2.600 6.291 0.00 1.19 H ATOM 725 HA ALA A 65 2.463 -4.034 5.179 0.00 0.43 H ATOM 726 HB1 ALA A 65 4.138 -4.128 7.682 0.00 0.97 H ATOM 727 HB2 ALA A 65 4.244 -2.861 6.460 0.00 0.93 H ATOM 728 HB3 ALA A 65 4.640 -4.527 6.040 0.00 1.17 H ATOM 729 N PHE A 66 1.752 -6.347 5.618 1.00 0.27 N ATOM 730 CA PHE A 66 1.335 -7.728 5.830 1.00 0.26 C ATOM 731 C PHE A 66 2.366 -8.699 5.263 1.00 0.25 C ATOM 732 O PHE A 66 3.058 -8.385 4.293 0.00 0.29 O ATOM 733 CB PHE A 66 -0.022 -7.980 5.168 0.00 0.26 C ATOM 734 CG PHE A 66 -1.126 -7.108 5.696 0.00 0.31 C ATOM 735 CD1 PHE A 66 -1.316 -5.829 5.197 0.00 0.32 C ATOM 736 CD2 PHE A 66 -1.977 -7.570 6.687 0.00 0.41 C ATOM 737 CE1 PHE A 66 -2.334 -5.027 5.678 0.00 0.38 C ATOM 738 CE2 PHE A 66 -2.995 -6.772 7.172 0.00 0.47 C ATOM 739 CZ PHE A 66 -3.174 -5.500 6.667 0.00 0.44 C ATOM 740 H PHE A 66 1.751 -5.984 4.709 0.00 0.27 H ATOM 741 HA PHE A 66 1.245 -7.893 6.893 0.00 0.32 H ATOM 742 HB2 PHE A 66 0.064 -7.798 4.108 0.00 0.25 H ATOM 743 HB3 PHE A 66 -0.306 -9.010 5.329 0.00 0.31 H ATOM 744 HD1 PHE A 66 -0.659 -5.458 4.424 0.00 0.34 H ATOM 745 HD2 PHE A 66 -1.837 -8.565 7.084 0.00 0.47 H ATOM 746 HE1 PHE A 66 -2.472 -4.032 5.282 0.00 0.42 H ATOM 747 HE2 PHE A 66 -3.652 -7.144 7.946 0.00 0.57 H ATOM 748 HZ PHE A 66 -3.970 -4.875 7.045 0.00 0.50 H ATOM 749 N THR A 67 2.469 -9.876 5.873 1.00 0.29 N ATOM 750 CA THR A 67 3.408 -10.891 5.412 1.00 0.32 C ATOM 751 C THR A 67 2.923 -11.500 4.101 1.00 0.28 C ATOM 752 O THR A 67 3.691 -12.124 3.367 0.00 0.35 O ATOM 753 CB THR A 67 3.600 -12.007 6.457 0.00 0.42 C ATOM 754 OG1 THR A 67 4.537 -12.977 5.973 0.00 0.47 O ATOM 755 CG2 THR A 67 2.279 -12.690 6.776 0.00 0.46 C ATOM 756 H THR A 67 1.901 -10.066 6.649 0.00 0.35 H ATOM 757 HA THR A 67 4.362 -10.411 5.244 0.00 0.33 H ATOM 758 HB THR A 67 3.988 -11.566 7.364 0.00 0.47 H ATOM 759 HG1 THR A 67 4.494 -13.765 6.521 0.00 0.67 H ATOM 760 HG21 THR A 67 1.583 -11.963 7.167 0.00 1.15 H ATOM 761 HG22 THR A 67 1.875 -13.128 5.875 0.00 1.06 H ATOM 762 HG23 THR A 67 2.443 -13.464 7.511 0.00 1.06 H ATOM 763 N VAL A 68 1.636 -11.309 3.819 1.00 0.23 N ATOM 764 CA VAL A 68 1.029 -11.817 2.595 1.00 0.24 C ATOM 765 C VAL A 68 0.711 -10.658 1.646 1.00 0.22 C ATOM 766 O VAL A 68 0.032 -9.707 2.034 0.00 0.22 O ATOM 767 CB VAL A 68 -0.263 -12.603 2.889 0.00 0.30 C ATOM 768 CG1 VAL A 68 -0.706 -13.383 1.661 0.00 1.03 C ATOM 769 CG2 VAL A 68 -0.065 -13.533 4.077 0.00 0.96 C ATOM 770 H VAL A 68 1.080 -10.810 4.453 0.00 0.25 H ATOM 771 HA VAL A 68 1.736 -12.482 2.124 0.00 0.28 H ATOM 772 HB VAL A 68 -1.041 -11.897 3.138 0.00 0.78 H ATOM 773 HG11 VAL A 68 0.086 -14.051 1.353 0.00 1.43 H ATOM 774 HG12 VAL A 68 -1.590 -13.959 1.898 0.00 1.55 H ATOM 775 HG13 VAL A 68 -0.930 -12.695 0.858 0.00 1.71 H ATOM 776 HG21 VAL A 68 0.212 -12.954 4.946 0.00 1.55 H ATOM 777 HG22 VAL A 68 -0.985 -14.064 4.277 0.00 1.72 H ATOM 778 HG23 VAL A 68 0.718 -14.242 3.853 0.00 1.21 H ATOM 779 N PRO A 69 1.195 -10.717 0.388 1.00 0.23 N ATOM 780 CA PRO A 69 0.972 -9.647 -0.596 1.00 0.24 C ATOM 781 C PRO A 69 -0.503 -9.381 -0.884 1.00 0.26 C ATOM 782 O PRO A 69 -0.959 -8.240 -0.805 0.00 0.29 O ATOM 783 CB PRO A 69 1.667 -10.163 -1.861 0.00 0.29 C ATOM 784 CG PRO A 69 2.629 -11.193 -1.384 0.00 0.32 C ATOM 785 CD PRO A 69 1.994 -11.819 -0.178 0.00 0.28 C ATOM 786 HA PRO A 69 1.441 -8.727 -0.283 0.00 0.24 H ATOM 787 HB2 PRO A 69 0.933 -10.588 -2.529 0.00 0.33 H ATOM 788 HB3 PRO A 69 2.175 -9.347 -2.351 0.00 0.30 H ATOM 789 HG2 PRO A 69 2.786 -11.934 -2.153 0.00 0.35 H ATOM 790 HG3 PRO A 69 3.564 -10.726 -1.115 0.00 0.35 H ATOM 791 HD2 PRO A 69 1.362 -12.646 -0.469 0.00 0.32 H ATOM 792 HD3 PRO A 69 2.750 -12.146 0.520 0.00 0.28 H ATOM 793 N GLU A 70 -1.242 -10.432 -1.226 1.00 0.28 N ATOM 794 CA GLU A 70 -2.660 -10.293 -1.546 1.00 0.33 C ATOM 795 C GLU A 70 -3.453 -9.714 -0.378 1.00 0.30 C ATOM 796 O GLU A 70 -4.434 -9.002 -0.585 0.00 0.36 O ATOM 797 CB GLU A 70 -3.251 -11.636 -1.977 0.00 0.41 C ATOM 798 CG GLU A 70 -2.991 -12.768 -1.001 0.00 1.30 C ATOM 799 CD GLU A 70 -3.588 -14.079 -1.472 0.00 2.03 C ATOM 800 OE1 GLU A 70 -3.194 -14.554 -2.558 0.00 2.57 O ATOM 801 OE2 GLU A 70 -4.448 -14.630 -0.756 0.00 2.58 O ATOM 802 H GLU A 70 -0.827 -11.318 -1.263 0.00 0.29 H ATOM 803 HA GLU A 70 -2.734 -9.606 -2.376 0.00 0.39 H ATOM 804 HB2 GLU A 70 -4.319 -11.526 -2.088 0.00 1.05 H ATOM 805 HB3 GLU A 70 -2.827 -11.911 -2.932 0.00 1.03 H ATOM 806 HG2 GLU A 70 -1.925 -12.894 -0.888 0.00 1.73 H ATOM 807 HG3 GLU A 70 -3.428 -12.513 -0.047 0.00 2.04 H ATOM 808 N SER A 71 -3.033 -10.014 0.846 1.00 0.27 N ATOM 809 CA SER A 71 -3.722 -9.502 2.027 1.00 0.29 C ATOM 810 C SER A 71 -3.706 -7.976 2.039 1.00 0.26 C ATOM 811 O SER A 71 -4.674 -7.337 2.451 0.00 0.28 O ATOM 812 CB SER A 71 -3.077 -10.041 3.305 0.00 0.38 C ATOM 813 OG SER A 71 -3.270 -11.439 3.424 0.00 1.23 O ATOM 814 H SER A 71 -2.248 -10.589 0.958 0.00 0.28 H ATOM 815 HA SER A 71 -4.748 -9.837 1.983 0.00 0.33 H ATOM 816 HB2 SER A 71 -2.016 -9.838 3.284 0.00 0.79 H ATOM 817 HB3 SER A 71 -3.519 -9.555 4.161 0.00 0.96 H ATOM 818 HG SER A 71 -3.507 -11.654 4.329 0.00 1.26 H ATOM 819 N ALA A 72 -2.598 -7.400 1.579 1.00 0.26 N ATOM 820 CA ALA A 72 -2.452 -5.951 1.532 1.00 0.29 C ATOM 821 C ALA A 72 -3.064 -5.382 0.257 1.00 0.25 C ATOM 822 O ALA A 72 -3.499 -4.231 0.225 0.00 0.26 O ATOM 823 CB ALA A 72 -0.984 -5.568 1.635 0.00 0.37 C ATOM 824 H ALA A 72 -1.862 -7.965 1.263 0.00 0.28 H ATOM 825 HA ALA A 72 -2.969 -5.536 2.385 0.00 0.32 H ATOM 826 HB1 ALA A 72 -0.896 -4.494 1.708 0.00 0.95 H ATOM 827 HB2 ALA A 72 -0.553 -6.024 2.515 0.00 1.19 H ATOM 828 HB3 ALA A 72 -0.458 -5.913 0.758 0.00 1.06 H ATOM 829 N GLN A 73 -3.096 -6.199 -0.794 1.00 0.26 N ATOM 830 CA GLN A 73 -3.658 -5.781 -2.074 1.00 0.29 C ATOM 831 C GLN A 73 -5.161 -5.562 -1.956 1.00 0.25 C ATOM 832 O GLN A 73 -5.669 -4.491 -2.281 0.00 0.25 O ATOM 833 CB GLN A 73 -3.377 -6.831 -3.151 0.00 0.39 C ATOM 834 CG GLN A 73 -3.974 -6.485 -4.507 0.00 0.46 C ATOM 835 CD GLN A 73 -4.135 -7.699 -5.400 0.00 1.02 C ATOM 836 OE1 GLN A 73 -4.350 -8.811 -4.922 0.00 2.03 O ATOM 837 NE2 GLN A 73 -4.032 -7.491 -6.707 0.00 1.26 N ATOM 838 H GLN A 73 -2.735 -7.105 -0.704 0.00 0.28 H ATOM 839 HA GLN A 73 -3.189 -4.850 -2.356 0.00 0.33 H ATOM 840 HB2 GLN A 73 -2.308 -6.931 -3.268 0.00 0.48 H ATOM 841 HB3 GLN A 73 -3.786 -7.778 -2.832 0.00 0.42 H ATOM 842 HG2 GLN A 73 -4.946 -6.039 -4.356 0.00 0.59 H ATOM 843 HG3 GLN A 73 -3.326 -5.776 -5.001 0.00 0.91 H ATOM 844 HE21 GLN A 73 -3.860 -6.578 -7.018 0.00 1.66 H ATOM 845 HE22 GLN A 73 -4.133 -8.259 -7.307 0.00 1.67 H ATOM 846 N ARG A 74 -5.860 -6.594 -1.494 1.00 0.25 N ATOM 847 CA ARG A 74 -7.307 -6.536 -1.327 1.00 0.27 C ATOM 848 C ARG A 74 -7.711 -5.339 -0.478 1.00 0.20 C ATOM 849 O ARG A 74 -8.570 -4.553 -0.868 0.00 0.19 O ATOM 850 CB ARG A 74 -7.808 -7.827 -0.682 0.00 0.36 C ATOM 851 CG ARG A 74 -7.375 -9.078 -1.428 0.00 1.14 C ATOM 852 CD ARG A 74 -7.555 -10.323 -0.580 0.00 1.28 C ATOM 853 NE ARG A 74 -8.962 -10.653 -0.392 0.00 1.76 N ATOM 854 CZ ARG A 74 -9.544 -11.711 -0.938 0.00 2.32 C ATOM 855 NH1 ARG A 74 -8.845 -12.532 -1.711 0.00 2.52 N ATOM 856 NH2 ARG A 74 -10.827 -11.949 -0.717 0.00 3.32 N ATOM 857 H ARG A 74 -5.389 -7.419 -1.260 0.00 0.27 H ATOM 858 HA ARG A 74 -7.752 -6.437 -2.306 0.00 0.33 H ATOM 859 HB2 ARG A 74 -7.428 -7.884 0.327 0.00 0.66 H ATOM 860 HB3 ARG A 74 -8.887 -7.807 -0.652 0.00 0.79 H ATOM 861 HG2 ARG A 74 -7.971 -9.175 -2.322 0.00 1.72 H ATOM 862 HG3 ARG A 74 -6.334 -8.984 -1.697 0.00 1.59 H ATOM 863 HD2 ARG A 74 -7.063 -11.150 -1.069 0.00 1.84 H ATOM 864 HD3 ARG A 74 -7.101 -10.155 0.386 0.00 1.70 H ATOM 865 HE ARG A 74 -9.497 -10.056 0.171 0.00 2.34 H ATOM 866 HH11 ARG A 74 -7.877 -12.353 -1.884 0.00 2.38 H ATOM 867 HH12 ARG A 74 -9.287 -13.330 -2.121 0.00 3.26 H ATOM 868 HH21 ARG A 74 -11.357 -11.331 -0.138 0.00 3.74 H ATOM 869 HH22 ARG A 74 -11.266 -12.748 -1.129 0.00 3.90 H ATOM 870 N TRP A 75 -7.084 -5.210 0.687 1.00 0.18 N ATOM 871 CA TRP A 75 -7.373 -4.104 1.591 1.00 0.17 C ATOM 872 C TRP A 75 -7.143 -2.764 0.895 1.00 0.16 C ATOM 873 O TRP A 75 -7.849 -1.790 1.154 0.00 0.19 O ATOM 874 CB TRP A 75 -6.497 -4.206 2.844 0.00 0.21 C ATOM 875 CG TRP A 75 -6.583 -3.007 3.741 0.00 0.25 C ATOM 876 CD1 TRP A 75 -7.424 -2.831 4.801 0.00 0.32 C ATOM 877 CD2 TRP A 75 -5.795 -1.816 3.651 0.00 0.27 C ATOM 878 NE1 TRP A 75 -7.205 -1.603 5.378 0.00 0.38 N ATOM 879 CE2 TRP A 75 -6.210 -0.961 4.688 0.00 0.35 C ATOM 880 CE3 TRP A 75 -4.779 -1.392 2.792 0.00 0.27 C ATOM 881 CZ2 TRP A 75 -5.640 0.293 4.890 0.00 0.41 C ATOM 882 CZ3 TRP A 75 -4.215 -0.148 2.992 0.00 0.35 C ATOM 883 CH2 TRP A 75 -4.647 0.682 4.032 0.00 0.41 C ATOM 884 H TRP A 75 -6.412 -5.874 0.944 0.00 0.19 H ATOM 885 HA TRP A 75 -8.411 -4.174 1.880 0.00 0.20 H ATOM 886 HB2 TRP A 75 -6.801 -5.070 3.417 0.00 0.26 H ATOM 887 HB3 TRP A 75 -5.466 -4.326 2.544 0.00 0.22 H ATOM 888 HD1 TRP A 75 -8.151 -3.559 5.129 0.00 0.36 H ATOM 889 HE1 TRP A 75 -7.682 -1.245 6.156 0.00 0.45 H ATOM 890 HE3 TRP A 75 -4.433 -2.019 1.984 0.00 0.26 H ATOM 891 HZ2 TRP A 75 -5.961 0.946 5.688 0.00 0.49 H ATOM 892 HZ3 TRP A 75 -3.429 0.197 2.337 0.00 0.38 H ATOM 893 HH2 TRP A 75 -4.178 1.646 4.149 0.00 0.47 H ATOM 894 N ALA A 76 -6.154 -2.729 0.009 1.00 0.17 N ATOM 895 CA ALA A 76 -5.819 -1.512 -0.722 1.00 0.21 C ATOM 896 C ALA A 76 -6.863 -1.188 -1.788 1.00 0.18 C ATOM 897 O ALA A 76 -7.223 -0.027 -1.982 0.00 0.23 O ATOM 898 CB ALA A 76 -4.443 -1.649 -1.354 0.00 0.29 C ATOM 899 H ALA A 76 -5.633 -3.542 -0.157 0.00 0.18 H ATOM 900 HA ALA A 76 -5.781 -0.698 -0.013 0.00 0.25 H ATOM 901 HB1 ALA A 76 -3.731 -1.955 -0.602 0.00 1.06 H ATOM 902 HB2 ALA A 76 -4.141 -0.699 -1.770 0.00 1.15 H ATOM 903 HB3 ALA A 76 -4.478 -2.391 -2.138 0.00 0.97 H ATOM 904 N ASN A 77 -7.347 -2.218 -2.473 1.00 0.15 N ATOM 905 CA ASN A 77 -8.343 -2.037 -3.523 1.00 0.17 C ATOM 906 C ASN A 77 -9.713 -1.702 -2.937 1.00 0.21 C ATOM 907 O ASN A 77 -10.472 -0.928 -3.517 0.00 0.29 O ATOM 908 CB ASN A 77 -8.443 -3.297 -4.386 0.00 0.16 C ATOM 909 CG ASN A 77 -7.133 -3.650 -5.069 0.00 0.25 C ATOM 910 OD1 ASN A 77 -6.875 -4.814 -5.372 0.00 0.64 O ATOM 911 ND2 ASN A 77 -6.298 -2.648 -5.319 0.00 0.27 N ATOM 912 H ASN A 77 -7.029 -3.121 -2.267 0.00 0.14 H ATOM 913 HA ASN A 77 -8.022 -1.214 -4.144 0.00 0.22 H ATOM 914 HB2 ASN A 77 -8.734 -4.128 -3.763 0.00 0.16 H ATOM 915 HB3 ASN A 77 -9.195 -3.144 -5.147 0.00 0.17 H ATOM 916 HD21 ASN A 77 -6.566 -1.743 -5.054 0.00 0.55 H ATOM 917 HD22 ASN A 77 -5.448 -2.854 -5.762 0.00 0.26 H ATOM 918 N GLN A 78 -10.021 -2.290 -1.786 1.00 0.22 N ATOM 919 CA GLN A 78 -11.301 -2.057 -1.124 1.00 0.29 C ATOM 920 C GLN A 78 -11.401 -0.628 -0.602 1.00 0.29 C ATOM 921 O GLN A 78 -12.391 0.064 -0.839 0.00 0.35 O ATOM 922 CB GLN A 78 -11.483 -3.043 0.031 0.00 0.37 C ATOM 923 CG GLN A 78 -11.621 -4.488 -0.416 0.00 1.27 C ATOM 924 CD GLN A 78 -11.669 -5.454 0.750 0.00 1.54 C ATOM 925 OE1 GLN A 78 -10.639 -5.953 1.200 0.00 2.25 O ATOM 926 NE2 GLN A 78 -12.869 -5.722 1.246 0.00 1.75 N ATOM 927 H GLN A 78 -9.373 -2.893 -1.370 0.00 0.21 H ATOM 928 HA GLN A 78 -12.084 -2.219 -1.850 0.00 0.35 H ATOM 929 HB2 GLN A 78 -10.628 -2.972 0.687 0.00 0.95 H ATOM 930 HB3 GLN A 78 -12.371 -2.773 0.583 0.00 1.05 H ATOM 931 HG2 GLN A 78 -12.533 -4.590 -0.986 0.00 1.85 H ATOM 932 HG3 GLN A 78 -10.777 -4.741 -1.041 0.00 1.96 H ATOM 933 HE21 GLN A 78 -13.646 -5.286 0.837 0.00 2.06 H ATOM 934 HE22 GLN A 78 -12.930 -6.343 2.001 0.00 2.06 H ATOM 935 N ILE A 79 -10.367 -0.195 0.111 1.00 0.27 N ATOM 936 CA ILE A 79 -10.329 1.150 0.676 1.00 0.30 C ATOM 937 C ILE A 79 -10.246 2.209 -0.423 1.00 0.37 C ATOM 938 O ILE A 79 -10.374 3.405 -0.162 0.00 0.46 O ATOM 939 CB ILE A 79 -9.129 1.308 1.636 0.00 0.33 C ATOM 940 CG1 ILE A 79 -9.235 2.619 2.421 0.00 0.38 C ATOM 941 CG2 ILE A 79 -7.818 1.249 0.862 0.00 0.40 C ATOM 942 CD1 ILE A 79 -8.169 2.782 3.485 0.00 0.42 C ATOM 943 H ILE A 79 -9.609 -0.796 0.263 0.00 0.27 H ATOM 944 HA ILE A 79 -11.238 1.301 1.241 0.00 0.33 H ATOM 945 HB ILE A 79 -9.144 0.480 2.329 0.00 0.38 H ATOM 946 HG12 ILE A 79 -9.146 3.449 1.737 0.00 0.42 H ATOM 947 HG13 ILE A 79 -10.198 2.661 2.908 0.00 0.45 H ATOM 948 HG21 ILE A 79 -7.786 0.340 0.279 0.00 1.08 H ATOM 949 HG22 ILE A 79 -7.751 2.102 0.202 0.00 1.14 H ATOM 950 HG23 ILE A 79 -6.989 1.261 1.554 0.00 1.00 H ATOM 951 HD11 ILE A 79 -7.193 2.751 3.024 0.00 1.19 H ATOM 952 HD12 ILE A 79 -8.301 3.730 3.985 0.00 0.93 H ATOM 953 HD13 ILE A 79 -8.253 1.980 4.204 0.00 1.07 H ATOM 954 N ARG A 80 -10.040 1.758 -1.655 1.00 0.40 N ATOM 955 CA ARG A 80 -9.926 2.661 -2.795 0.00 0.54 C ATOM 956 C ARG A 80 -11.258 2.809 -3.526 0.00 0.57 C ATOM 957 O ARG A 80 -11.706 3.923 -3.800 0.00 0.68 O ATOM 958 CB ARG A 80 -8.862 2.139 -3.758 0.00 0.64 C ATOM 959 CG ARG A 80 -8.600 3.051 -4.942 0.00 0.94 C ATOM 960 CD ARG A 80 -7.571 2.444 -5.878 0.00 1.00 C ATOM 961 NE ARG A 80 -7.206 3.350 -6.959 0.00 1.25 N ATOM 962 CZ ARG A 80 -6.271 3.077 -7.863 0.00 1.67 C ATOM 963 NH1 ARG A 80 -5.613 1.926 -7.814 0.00 1.74 N ATOM 964 NH2 ARG A 80 -5.997 3.953 -8.818 0.00 2.53 N ATOM 965 H ARG A 80 -9.962 0.793 -1.802 0.00 0.38 H ATOM 966 HA ARG A 80 -9.620 3.628 -2.425 0.00 0.60 H ATOM 967 HB2 ARG A 80 -7.936 2.016 -3.217 0.00 0.96 H ATOM 968 HB3 ARG A 80 -9.177 1.177 -4.135 0.00 0.74 H ATOM 969 HG2 ARG A 80 -9.523 3.201 -5.483 0.00 1.12 H ATOM 970 HG3 ARG A 80 -8.232 4.001 -4.581 0.00 1.34 H ATOM 971 HD2 ARG A 80 -6.685 2.204 -5.309 0.00 1.48 H ATOM 972 HD3 ARG A 80 -7.980 1.540 -6.302 0.00 1.49 H ATOM 973 HE ARG A 80 -7.681 4.206 -7.015 0.00 1.70 H ATOM 974 HH11 ARG A 80 -5.819 1.262 -7.095 0.00 1.69 H ATOM 975 HH12 ARG A 80 -4.910 1.723 -8.496 0.00 2.24 H ATOM 976 HH21 ARG A 80 -6.493 4.820 -8.858 0.00 2.92 H ATOM 977 HH22 ARG A 80 -5.292 3.748 -9.497 0.00 2.95 H ATOM 978 N GLN A 81 -11.882 1.680 -3.840 0.00 0.53 N ATOM 979 CA GLN A 81 -13.157 1.678 -4.550 0.00 0.64 C ATOM 980 C GLN A 81 -14.299 2.098 -3.634 0.00 0.71 C ATOM 981 O GLN A 81 -15.044 3.030 -3.934 0.00 0.84 O ATOM 982 CB GLN A 81 -13.445 0.285 -5.110 0.00 0.71 C ATOM 983 CG GLN A 81 -12.297 -0.302 -5.911 0.00 0.93 C ATOM 984 CD GLN A 81 -12.430 -1.801 -6.100 0.00 0.83 C ATOM 985 OE1 GLN A 81 -13.536 -2.331 -6.194 0.00 1.27 O ATOM 986 NE2 GLN A 81 -11.298 -2.493 -6.146 0.00 0.58 N ATOM 987 H GLN A 81 -11.476 0.825 -3.586 0.00 0.48 H ATOM 988 HA GLN A 81 -13.087 2.380 -5.367 0.00 0.73 H ATOM 989 HB2 GLN A 81 -13.661 -0.382 -4.289 0.00 1.10 H ATOM 990 HB3 GLN A 81 -14.312 0.341 -5.753 0.00 1.10 H ATOM 991 HG2 GLN A 81 -12.277 0.167 -6.884 0.00 1.40 H ATOM 992 HG3 GLN A 81 -11.372 -0.098 -5.395 0.00 1.39 H ATOM 993 HE21 GLN A 81 -10.453 -2.004 -6.057 0.00 0.81 H ATOM 994 HE22 GLN A 81 -11.353 -3.464 -6.266 0.00 0.55 H ATOM 995 N GLU A 82 -14.426 1.396 -2.516 0.00 0.70 N ATOM 996 CA GLU A 82 -15.484 1.667 -1.552 0.00 0.84 C ATOM 997 C GLU A 82 -15.117 2.824 -0.632 0.00 0.87 C ATOM 998 O GLU A 82 -15.976 3.378 0.054 0.00 1.01 O ATOM 999 CB GLU A 82 -15.753 0.416 -0.721 0.00 1.10 C ATOM 1000 CG GLU A 82 -15.754 -0.866 -1.535 0.00 1.72 C ATOM 1001 CD GLU A 82 -16.959 -0.977 -2.446 0.00 2.35 C ATOM 1002 OE1 GLU A 82 -17.130 -0.099 -3.316 0.00 2.90 O ATOM 1003 OE2 GLU A 82 -17.728 -1.946 -2.292 0.00 2.78 O ATOM 1004 H GLU A 82 -13.791 0.673 -2.333 0.00 0.67 H ATOM 1005 HA GLU A 82 -16.378 1.924 -2.100 0.00 0.93 H ATOM 1006 HB2 GLU A 82 -14.992 0.332 0.042 0.00 1.58 H ATOM 1007 HB3 GLU A 82 -16.717 0.515 -0.246 0.00 1.25 H ATOM 1008 HG2 GLU A 82 -14.861 -0.893 -2.141 0.00 2.31 H ATOM 1009 HG3 GLU A 82 -15.754 -1.708 -0.858 0.00 2.01 H ATOM 1010 N GLY A 83 -13.840 3.185 -0.621 0.00 0.85 N ATOM 1011 CA GLY A 83 -13.391 4.265 0.234 0.00 1.15 C ATOM 1012 C GLY A 83 -13.598 3.942 1.699 0.00 1.46 C ATOM 1013 O GLY A 83 -14.553 4.417 2.312 0.00 1.87 O ATOM 1014 H GLY A 83 -13.200 2.716 -1.196 0.00 0.74 H ATOM 1015 HA2 GLY A 83 -13.944 5.160 -0.009 0.00 1.28 H ATOM 1016 HA3 GLY A 83 -12.340 4.440 0.057 0.00 1.18 H ATOM 1017 N GLU A 84 -12.700 3.123 2.249 0.00 1.47 N ATOM 1018 CA GLU A 84 -12.763 2.707 3.650 0.00 1.92 C ATOM 1019 C GLU A 84 -13.909 1.726 3.886 0.00 2.20 C ATOM 1020 O GLU A 84 -13.683 0.530 4.068 0.00 2.71 O ATOM 1021 CB GLU A 84 -12.899 3.921 4.578 0.00 2.32 C ATOM 1022 CG GLU A 84 -13.089 3.557 6.040 0.00 2.71 C ATOM 1023 CD GLU A 84 -11.979 2.673 6.568 0.00 3.12 C ATOM 1024 OE1 GLU A 84 -10.830 3.152 6.657 0.00 3.60 O ATOM 1025 OE2 GLU A 84 -12.259 1.500 6.888 0.00 3.40 O ATOM 1026 H GLU A 84 -11.967 2.787 1.692 0.00 1.30 H ATOM 1027 HA GLU A 84 -11.835 2.203 3.878 0.00 2.21 H ATOM 1028 HB2 GLU A 84 -12.007 4.523 4.494 0.00 2.77 H ATOM 1029 HB3 GLU A 84 -13.748 4.509 4.264 0.00 2.37 H ATOM 1030 HG2 GLU A 84 -13.113 4.465 6.624 0.00 2.79 H ATOM 1031 HG3 GLU A 84 -14.029 3.035 6.149 0.00 3.27 H ATOM 1032 N VAL A 85 -15.136 2.236 3.884 0.00 2.25 N ATOM 1033 CA VAL A 85 -16.310 1.400 4.098 0.00 2.89 C ATOM 1034 C VAL A 85 -16.563 0.494 2.900 0.00 2.85 C ATOM 1035 O VAL A 85 -17.083 0.934 1.876 0.00 2.63 O ATOM 1036 CB VAL A 85 -17.566 2.249 4.361 0.00 3.48 C ATOM 1037 CG1 VAL A 85 -18.758 1.360 4.677 0.00 3.87 C ATOM 1038 CG2 VAL A 85 -17.316 3.235 5.489 0.00 3.87 C ATOM 1039 H VAL A 85 -15.255 3.198 3.739 0.00 2.06 H ATOM 1040 HA VAL A 85 -16.127 0.786 4.968 0.00 3.25 H ATOM 1041 HB VAL A 85 -17.791 2.809 3.465 0.00 3.92 H ATOM 1042 HG11 VAL A 85 -18.944 0.697 3.845 0.00 4.17 H ATOM 1043 HG12 VAL A 85 -18.547 0.777 5.562 0.00 3.78 H ATOM 1044 HG13 VAL A 85 -19.629 1.974 4.850 0.00 4.47 H ATOM 1045 HG21 VAL A 85 -16.486 3.876 5.231 0.00 4.06 H ATOM 1046 HG22 VAL A 85 -18.200 3.836 5.644 0.00 4.00 H ATOM 1047 HG23 VAL A 85 -17.086 2.695 6.396 0.00 4.35 H ATOM 1048 N THR A 86 -16.198 -0.775 3.043 0.00 3.27 N ATOM 1049 CA THR A 86 -16.376 -1.753 1.978 0.00 3.43 C ATOM 1050 C THR A 86 -17.849 -1.951 1.643 0.00 3.92 C ATOM 1051 O THR A 86 -18.590 -2.572 2.405 0.00 4.55 O ATOM 1052 CB THR A 86 -15.761 -3.111 2.359 0.00 4.07 C ATOM 1053 OG1 THR A 86 -14.363 -2.957 2.625 0.00 4.29 O ATOM 1054 CG2 THR A 86 -15.958 -4.131 1.248 0.00 4.88 C ATOM 1055 H THR A 86 -15.796 -1.062 3.890 0.00 3.58 H ATOM 1056 HA THR A 86 -15.864 -1.386 1.101 0.00 2.92 H ATOM 1057 HB THR A 86 -16.252 -3.473 3.251 0.00 4.25 H ATOM 1058 HG1 THR A 86 -14.131 -2.026 2.585 0.00 4.44 H ATOM 1059 HG21 THR A 86 -15.512 -3.760 0.336 0.00 5.13 H ATOM 1060 HG22 THR A 86 -15.485 -5.061 1.527 0.00 5.39 H ATOM 1061 HG23 THR A 86 -17.013 -4.295 1.092 0.00 5.06 H ATOM 1062 N GLU A 87 -18.259 -1.420 0.495 0.00 3.76 N ATOM 1063 CA GLU A 87 -19.638 -1.536 0.037 0.00 4.37 C ATOM 1064 C GLU A 87 -20.616 -1.165 1.146 0.00 4.99 C ATOM 1065 O GLU A 87 -21.156 -2.087 1.792 0.00 5.23 O ATOM 1066 CB GLU A 87 -19.910 -2.960 -0.453 0.00 4.53 C ATOM 1067 CG GLU A 87 -21.037 -3.052 -1.467 0.00 5.01 C ATOM 1068 CD GLU A 87 -22.341 -2.491 -0.941 0.00 5.57 C ATOM 1069 OE1 GLU A 87 -22.964 -3.147 -0.082 0.00 5.83 O ATOM 1070 OE2 GLU A 87 -22.737 -1.394 -1.386 0.00 6.06 O ATOM 1071 OXT GLU A 87 -20.833 0.044 1.360 0.00 5.60 O ATOM 1072 H GLU A 87 -17.615 -0.936 -0.060 0.00 3.33 H ATOM 1073 HA GLU A 87 -19.771 -0.852 -0.787 0.00 4.66 H ATOM 1074 HB2 GLU A 87 -19.012 -3.348 -0.910 0.00 4.50 H ATOM 1075 HB3 GLU A 87 -20.167 -3.578 0.395 0.00 4.80 H ATOM 1076 HG2 GLU A 87 -20.756 -2.497 -2.350 0.00 5.26 H ATOM 1077 HG3 GLU A 87 -21.186 -4.089 -1.727 0.00 5.15 H TER 1078 GLU A 87 MASTER 104 0 0 1 2 0 0 6 1077 1 0 7 END