Browse entries in the PDBbind-CN Database
HEADER 5HCV_COMPLEX COMPND 5HCV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 17 PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE VAL SEQRES 2 A 17 TYR ALA GLY TYR SEQRES 1 A 149 PRO ASP THR ALA GLU ASN LEU LEU SER THR LEU ASN ARG SEQRES 2 A 149 LEU ALA GLY LYS GLN MET ILE GLN VAL VAL LYS TRP ALA SEQRES 3 A 149 LYS VAL LEU PRO GLY PHE LYS ASN LEU PRO LEU GLU ASP SEQRES 4 A 149 GLN ILE THR LEU ILE GLN TYR SER TRP MET SER LEU SER SEQRES 5 A 149 SER PHE ALA LEU SER TRP ARG SER TYR LYS HIS THR ASN SEQRES 6 A 149 SER GLN PHE LEU TYR PHE ALA PRO ASP LEU VAL PHE ASN SEQRES 7 A 149 GLU GLU LYS MET HIS GLN SER ALA MET TYR GLU LEU CYS SEQRES 8 A 149 GLN GLY MET HIS GLN ILE SER LEU GLN PHE VAL ARG LEU SEQRES 9 A 149 GLN LEU THR PHE GLU GLU TYR THR ILE MET LYS VAL LEU SEQRES 10 A 149 LEU LEU LEU SER THR ILE PRO LYS ASP GLY LEU LYS SER SEQRES 11 A 149 GLN ALA ALA PHE GLU GLU MET ARG THR ASN TYR ILE LYS SEQRES 12 A 149 GLU LEU ARG LYS MET VAL SEQRES 1 A 70 ASN SER GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR SEQRES 2 A 70 LYS LEU LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU SEQRES 3 A 70 LEU GLU PHE CYS PHE TYR THR PHE ARG GLU SER HIS ALA SEQRES 4 A 70 LEU LYS VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SEQRES 5 A 70 SER ASP GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS SEQRES 6 A 70 PRO LEU TYR PHE HIS HET UNN A 331 44 ATOM 1 N PRO A 738 16.010 0.736 -13.680 1.00 73.97 N ATOM 2 CA PRO A 738 15.507 -0.599 -13.997 1.00 70.19 C ATOM 3 C PRO A 738 14.698 -1.122 -12.854 1.00 68.31 C ATOM 4 O PRO A 738 13.522 -1.351 -12.985 1.00 75.53 O ATOM 5 CB PRO A 738 16.769 -1.421 -14.113 1.00 64.57 C ATOM 6 CG PRO A 738 17.782 -0.455 -14.552 1.00 77.81 C ATOM 7 CD PRO A 738 17.458 0.828 -13.864 1.00 76.63 C ATOM 8 HN2 PRO A 738 15.781 0.956 -12.690 1.00 0.00 H ATOM 9 HN1 PRO A 738 15.546 1.428 -14.303 1.00 0.00 H ATOM 10 N VAL A 739 15.378 -1.345 -11.746 1.00 68.24 N ATOM 11 CA VAL A 739 14.816 -1.880 -10.512 1.00 70.14 C ATOM 12 C VAL A 739 13.763 -1.045 -9.769 1.00 67.87 C ATOM 13 O VAL A 739 12.848 -1.584 -9.188 1.00 77.48 O ATOM 14 CB VAL A 739 15.943 -2.420 -9.575 1.00 74.68 C ATOM 15 CG1 VAL A 739 16.892 -1.321 -9.131 1.00 73.20 C ATOM 16 CG2 VAL A 739 15.354 -3.126 -8.381 1.00 73.43 C ATOM 17 H VAL A 739 16.394 -1.122 -11.753 1.00 0.00 H ATOM 18 N MET A 740 13.905 0.261 -9.748 1.00 68.21 N ATOM 19 CA MET A 740 12.920 1.092 -9.067 1.00 65.97 C ATOM 20 C MET A 740 11.554 0.993 -9.741 1.00 56.62 C ATOM 21 O MET A 740 10.534 1.023 -9.088 1.00 53.93 O ATOM 22 CB MET A 740 13.405 2.529 -8.882 1.00 80.21 C ATOM 23 CG MET A 740 14.586 2.694 -7.956 1.00 96.36 C ATOM 24 SD MET A 740 14.307 2.130 -6.287 1.00112.89 S ATOM 25 CE MET A 740 13.089 3.329 -5.763 1.00122.44 C ATOM 26 H MET A 740 14.721 0.702 -10.218 1.00 0.00 H ATOM 27 N VAL A 741 11.559 0.872 -11.059 1.00 56.37 N ATOM 28 CA VAL A 741 10.350 0.734 -11.872 1.00 55.47 C ATOM 29 C VAL A 741 9.601 -0.539 -11.552 1.00 53.45 C ATOM 30 O VAL A 741 8.393 -0.554 -11.462 1.00 52.41 O ATOM 31 CB VAL A 741 10.677 0.660 -13.382 1.00 55.97 C ATOM 32 CG1 VAL A 741 9.409 0.534 -14.191 1.00 59.89 C ATOM 33 CG2 VAL A 741 11.454 1.855 -13.853 1.00 46.27 C ATOM 34 H VAL A 741 12.478 0.875 -11.546 1.00 0.00 H ATOM 35 N LEU A 742 10.345 -1.620 -11.389 1.00 57.96 N ATOM 36 CA LEU A 742 9.746 -2.892 -11.062 1.00 52.19 C ATOM 37 C LEU A 742 9.040 -2.841 -9.720 1.00 48.03 C ATOM 38 O LEU A 742 7.968 -3.405 -9.579 1.00 51.99 O ATOM 39 CB LEU A 742 10.794 -3.993 -11.076 1.00 57.88 C ATOM 40 CG LEU A 742 11.569 -4.368 -12.339 1.00 58.94 C ATOM 41 CD1 LEU A 742 12.278 -5.676 -12.090 1.00 63.20 C ATOM 42 CD2 LEU A 742 10.690 -4.495 -13.561 1.00 61.16 C ATOM 43 H LEU A 742 11.377 -1.553 -11.498 1.00 0.00 H ATOM 44 N GLU A 743 9.629 -2.138 -8.753 1.00 50.92 N ATOM 45 CA GLU A 743 9.046 -1.982 -7.413 1.00 52.80 C ATOM 46 C GLU A 743 7.708 -1.250 -7.440 1.00 53.29 C ATOM 47 O GLU A 743 6.807 -1.596 -6.706 1.00 56.85 O ATOM 48 CB GLU A 743 10.030 -1.328 -6.433 1.00 58.81 C ATOM 49 CG GLU A 743 11.281 -2.151 -6.162 1.00 70.74 C ATOM 50 CD GLU A 743 11.951 -1.853 -4.833 1.00 84.00 C ATOM 51 OE1 GLU A 743 12.578 -2.759 -4.257 1.00 80.76 O ATOM 52 OE2 GLU A 743 11.877 -0.707 -4.361 1.00 89.82 O ATOM 53 H GLU A 743 10.541 -1.680 -8.955 1.00 0.00 H ATOM 54 N ASN A 744 7.580 -0.233 -8.282 1.00 56.33 N ATOM 55 CA ASN A 744 6.326 0.479 -8.417 1.00 59.72 C ATOM 56 C ASN A 744 5.242 -0.329 -9.080 1.00 62.43 C ATOM 57 O ASN A 744 4.094 -0.262 -8.688 1.00 64.95 O ATOM 58 CB ASN A 744 6.495 1.830 -9.145 1.00 61.50 C ATOM 59 CG ASN A 744 5.891 2.997 -8.366 1.00 70.72 C ATOM 60 OD1 ASN A 744 4.723 3.289 -8.477 1.00 68.78 O ATOM 61 ND2 ASN A 744 6.697 3.641 -7.553 1.00 73.12 N ATOM 62 HD22 ASN A 744 7.697 3.362 -7.483 1.00 0.00 H ATOM 63 HD21 ASN A 744 6.336 4.430 -6.979 1.00 0.00 H ATOM 64 H ASN A 744 8.396 0.059 -8.857 1.00 0.00 H ATOM 65 N ILE A 745 5.613 -1.106 -10.081 1.00 60.79 N ATOM 66 CA ILE A 745 4.639 -1.849 -10.877 1.00 52.26 C ATOM 67 C ILE A 745 4.033 -3.131 -10.328 1.00 52.79 C ATOM 68 O ILE A 745 3.243 -3.759 -10.988 1.00 55.96 O ATOM 69 CB ILE A 745 5.053 -1.954 -12.364 1.00 53.77 C ATOM 70 CG1 ILE A 745 6.383 -2.686 -12.561 1.00 53.00 C ATOM 71 CG2 ILE A 745 5.073 -0.577 -12.998 1.00 54.48 C ATOM 72 CD1 ILE A 745 6.679 -2.978 -14.003 1.00 52.14 C ATOM 73 H ILE A 745 6.624 -1.191 -10.309 1.00 0.00 H ATOM 74 N GLU A 746 4.372 -3.495 -9.106 1.00 59.61 N ATOM 75 CA GLU A 746 3.811 -4.702 -8.500 1.00 60.11 C ATOM 76 C GLU A 746 2.256 -4.734 -8.430 1.00 59.81 C ATOM 77 O GLU A 746 1.615 -3.713 -8.291 1.00 61.53 O ATOM 78 CB GLU A 746 4.491 -4.987 -7.167 1.00 52.03 C ATOM 79 CG GLU A 746 4.094 -6.311 -6.562 1.00 64.25 C ATOM 80 CD GLU A 746 5.046 -7.471 -6.832 1.00 68.77 C ATOM 81 OE1 GLU A 746 5.840 -7.462 -7.819 1.00 64.13 O ATOM 82 OE2 GLU A 746 4.940 -8.415 -6.038 1.00 58.41 O ATOM 83 H GLU A 746 5.047 -2.916 -8.567 1.00 0.00 H ATOM 84 N PRO A 747 1.670 -5.917 -8.569 1.00 61.93 N ATOM 85 CA PRO A 747 0.209 -6.102 -8.613 1.00 56.69 C ATOM 86 C PRO A 747 -0.663 -5.841 -7.379 1.00 54.94 C ATOM 87 O PRO A 747 -0.214 -5.869 -6.261 1.00 53.34 O ATOM 88 CB PRO A 747 0.088 -7.586 -8.975 1.00 60.54 C ATOM 89 CG PRO A 747 1.349 -8.170 -8.453 1.00 59.09 C ATOM 90 CD PRO A 747 2.358 -7.166 -8.894 1.00 53.12 C ATOM 91 N GLU A 748 -1.938 -5.598 -7.653 1.00 59.58 N ATOM 92 CA GLU A 748 -3.006 -5.357 -6.676 1.00 60.33 C ATOM 93 C GLU A 748 -3.620 -6.630 -6.063 1.00 60.09 C ATOM 94 O GLU A 748 -3.549 -7.697 -6.641 1.00 58.42 O ATOM 95 CB GLU A 748 -4.093 -4.478 -7.303 1.00 64.91 C ATOM 96 CG GLU A 748 -5.235 -5.237 -7.955 1.00 74.87 C ATOM 97 CD GLU A 748 -6.254 -4.362 -8.640 1.00 78.21 C ATOM 98 OE1 GLU A 748 -7.440 -4.519 -8.339 1.00 82.43 O ATOM 99 OE2 GLU A 748 -5.891 -3.549 -9.500 1.00 78.36 O ATOM 100 H GLU A 748 -2.207 -5.576 -8.657 1.00 0.00 H ATOM 101 N ILE A 749 -4.243 -6.487 -4.900 1.00 57.80 N ATOM 102 CA ILE A 749 -4.886 -7.591 -4.190 1.00 56.35 C ATOM 103 C ILE A 749 -6.066 -8.190 -4.964 1.00 54.31 C ATOM 104 O ILE A 749 -6.911 -7.484 -5.464 1.00 63.73 O ATOM 105 CB ILE A 749 -5.337 -7.136 -2.783 1.00 49.97 C ATOM 106 CG1 ILE A 749 -4.129 -6.796 -1.938 1.00 49.60 C ATOM 107 CG2 ILE A 749 -6.185 -8.187 -2.107 1.00 47.79 C ATOM 108 CD1 ILE A 749 -4.463 -6.064 -0.669 1.00 51.88 C ATOM 109 H ILE A 749 -4.275 -5.540 -4.471 1.00 0.00 H ATOM 110 N VAL A 750 -6.087 -9.503 -5.073 1.00 48.77 N ATOM 111 CA VAL A 750 -7.131 -10.196 -5.795 1.00 50.77 C ATOM 112 C VAL A 750 -7.843 -11.232 -4.929 1.00 51.21 C ATOM 113 O VAL A 750 -7.240 -12.095 -4.337 1.00 54.11 O ATOM 114 CB VAL A 750 -6.568 -10.861 -7.075 1.00 48.76 C ATOM 115 CG1 VAL A 750 -7.662 -11.189 -8.071 1.00 40.21 C ATOM 116 CG2 VAL A 750 -5.497 -9.996 -7.691 1.00 45.97 C ATOM 117 H VAL A 750 -5.330 -10.058 -4.626 1.00 0.00 H ATOM 118 N TYR A 751 -9.152 -11.152 -4.877 1.00 51.12 N ATOM 119 CA TYR A 751 -9.919 -12.104 -4.109 1.00 49.36 C ATOM 120 C TYR A 751 -10.378 -13.272 -4.960 1.00 50.00 C ATOM 121 O TYR A 751 -10.767 -13.121 -6.111 1.00 53.94 O ATOM 122 CB TYR A 751 -11.155 -11.444 -3.513 1.00 49.89 C ATOM 123 CG TYR A 751 -10.908 -10.643 -2.284 1.00 48.86 C ATOM 124 CD1 TYR A 751 -10.437 -9.360 -2.366 1.00 46.21 C ATOM 125 CD2 TYR A 751 -11.155 -11.174 -1.038 1.00 49.25 C ATOM 126 CE1 TYR A 751 -10.199 -8.629 -1.241 1.00 50.83 C ATOM 127 CE2 TYR A 751 -10.923 -10.442 0.091 1.00 45.81 C ATOM 128 CZ TYR A 751 -10.441 -9.166 -0.027 1.00 50.93 C ATOM 129 OH TYR A 751 -10.212 -8.412 1.070 1.00 61.78 O ATOM 130 HH TYR A 751 -9.868 -7.526 0.794 1.00 0.00 H ATOM 131 H TYR A 751 -9.642 -10.395 -5.395 1.00 0.00 H ATOM 132 N ALA A 752 -10.333 -14.445 -4.369 1.00 45.28 N ATOM 133 CA ALA A 752 -10.767 -15.628 -5.044 1.00 45.43 C ATOM 134 C ALA A 752 -12.282 -15.665 -5.119 1.00 51.38 C ATOM 135 O ALA A 752 -12.830 -16.311 -5.976 1.00 49.56 O ATOM 136 CB ALA A 752 -10.245 -16.866 -4.355 1.00 42.84 C ATOM 137 H ALA A 752 -9.976 -14.514 -3.395 1.00 0.00 H ATOM 138 N GLY A 753 -12.950 -14.992 -4.199 1.00 51.81 N ATOM 139 CA GLY A 753 -14.383 -15.003 -4.168 1.00 56.63 C ATOM 140 C GLY A 753 -14.882 -16.281 -3.538 1.00 61.73 C ATOM 141 O GLY A 753 -15.619 -17.009 -4.136 1.00 62.13 O ATOM 142 H GLY A 753 -12.427 -14.445 -3.485 1.00 0.00 H ATOM 143 N TYR A 754 -14.459 -16.532 -2.315 1.00 72.12 N ATOM 144 CA TYR A 754 -14.834 -17.702 -1.550 1.00 80.38 C ATOM 145 C TYR A 754 -16.155 -17.516 -0.830 1.00 75.54 C ATOM 146 O TYR A 754 -17.011 -18.385 -0.863 1.00 69.87 O ATOM 147 CB TYR A 754 -13.749 -17.986 -0.524 1.00 91.26 C ATOM 148 CG TYR A 754 -13.557 -19.445 -0.207 1.00103.86 C ATOM 149 CD1 TYR A 754 -13.337 -20.372 -1.209 1.00 96.35 C ATOM 150 CD2 TYR A 754 -13.599 -19.890 1.098 1.00106.89 C ATOM 151 CE1 TYR A 754 -13.167 -21.703 -0.909 1.00 98.61 C ATOM 152 CE2 TYR A 754 -13.429 -21.210 1.404 1.00106.90 C ATOM 153 CZ TYR A 754 -13.212 -22.109 0.400 1.00105.06 C ATOM 154 OH TYR A 754 -13.050 -23.425 0.731 1.00110.85 O ATOM 155 HH TYR A 754 -13.863 -23.750 1.193 1.00 0.00 H ATOM 156 H TYR A 754 -13.815 -15.846 -1.872 1.00 0.00 H TER 157 TYR A 754 ATOM 158 N PRO A 759 -19.035 -26.359 0.337 1.00 77.29 N ATOM 159 CA PRO A 759 -18.345 -27.575 0.744 1.00 79.61 C ATOM 160 C PRO A 759 -16.968 -27.606 0.147 1.00 77.69 C ATOM 161 O PRO A 759 -16.828 -27.256 -1.015 1.00 83.60 O ATOM 162 CB PRO A 759 -19.184 -28.680 0.108 1.00 75.68 C ATOM 163 CG PRO A 759 -20.122 -28.017 -0.842 1.00 71.27 C ATOM 164 CD PRO A 759 -19.765 -26.568 -0.913 1.00 78.66 C ATOM 165 HN2 PRO A 759 -18.337 -25.600 0.201 1.00 0.00 H ATOM 166 HN1 PRO A 759 -19.706 -26.082 1.082 1.00 0.00 H ATOM 167 N ASP A 760 -15.974 -28.017 0.921 1.00 70.51 N ATOM 168 CA ASP A 760 -14.619 -28.076 0.419 1.00 65.44 C ATOM 169 C ASP A 760 -14.303 -29.384 -0.329 1.00 65.85 C ATOM 170 O ASP A 760 -13.427 -30.153 0.047 1.00 56.83 O ATOM 171 CB ASP A 760 -13.613 -27.790 1.532 1.00 72.39 C ATOM 172 CG ASP A 760 -13.811 -26.424 2.164 1.00 79.15 C ATOM 173 OD1 ASP A 760 -13.866 -25.425 1.431 1.00 84.12 O ATOM 174 OD2 ASP A 760 -13.906 -26.341 3.399 1.00 76.88 O ATOM 175 H ASP A 760 -16.171 -28.301 1.902 1.00 0.00 H ATOM 176 N THR A 761 -15.046 -29.597 -1.407 1.00 60.95 N ATOM 177 CA THR A 761 -14.881 -30.721 -2.311 1.00 66.82 C ATOM 178 C THR A 761 -13.702 -30.435 -3.232 1.00 64.27 C ATOM 179 O THR A 761 -13.268 -29.308 -3.349 1.00 57.50 O ATOM 180 CB THR A 761 -16.117 -30.918 -3.210 1.00 77.72 C ATOM 181 OG1 THR A 761 -16.356 -29.737 -3.982 1.00 83.98 O ATOM 182 CG2 THR A 761 -17.343 -31.224 -2.384 1.00 78.35 C ATOM 183 HG1 THR A 761 -17.151 -29.874 -4.555 1.00 0.00 H ATOM 184 H THR A 761 -15.799 -28.911 -1.619 1.00 0.00 H ATOM 185 N ALA A 762 -13.192 -31.457 -3.891 1.00 61.28 N ATOM 186 CA ALA A 762 -12.085 -31.241 -4.799 1.00 60.22 C ATOM 187 C ALA A 762 -12.493 -30.355 -5.954 1.00 66.82 C ATOM 188 O ALA A 762 -11.752 -29.499 -6.375 1.00 72.99 O ATOM 189 CB ALA A 762 -11.554 -32.551 -5.316 1.00 53.80 C ATOM 190 H ALA A 762 -13.582 -32.412 -3.759 1.00 0.00 H ATOM 191 N GLU A 763 -13.690 -30.595 -6.461 1.00 75.72 N ATOM 192 CA GLU A 763 -14.229 -29.867 -7.588 1.00 77.30 C ATOM 193 C GLU A 763 -14.387 -28.391 -7.288 1.00 74.51 C ATOM 194 O GLU A 763 -14.097 -27.549 -8.104 1.00 73.42 O ATOM 195 CB GLU A 763 -15.568 -30.486 -7.975 1.00 79.78 C ATOM 196 CG GLU A 763 -15.439 -31.893 -8.519 1.00 92.61 C ATOM 197 CD GLU A 763 -14.733 -32.864 -7.563 1.00104.73 C ATOM 198 OE1 GLU A 763 -13.806 -33.572 -8.016 1.00101.19 O ATOM 199 OE2 GLU A 763 -15.117 -32.952 -6.371 1.00103.53 O ATOM 200 H GLU A 763 -14.271 -31.342 -6.029 1.00 0.00 H ATOM 201 N ASN A 764 -14.884 -28.092 -6.113 1.00 67.65 N ATOM 202 CA ASN A 764 -15.049 -26.727 -5.709 1.00 68.71 C ATOM 203 C ASN A 764 -13.732 -25.969 -5.540 1.00 64.68 C ATOM 204 O ASN A 764 -13.629 -24.846 -5.958 1.00 71.10 O ATOM 205 CB ASN A 764 -15.915 -26.669 -4.449 1.00 73.60 C ATOM 206 CG ASN A 764 -17.365 -27.012 -4.732 1.00 86.14 C ATOM 207 OD1 ASN A 764 -17.834 -26.886 -5.861 1.00 86.01 O ATOM 208 ND2 ASN A 764 -18.081 -27.471 -3.706 1.00 89.44 N ATOM 209 HD22 ASN A 764 -17.644 -27.562 -2.766 1.00 0.00 H ATOM 210 HD21 ASN A 764 -19.076 -27.738 -3.845 1.00 0.00 H ATOM 211 H ASN A 764 -15.163 -28.856 -5.465 1.00 0.00 H ATOM 212 N LEU A 765 -12.749 -26.573 -4.893 1.00 58.23 N ATOM 213 CA LEU A 765 -11.459 -25.926 -4.690 1.00 53.59 C ATOM 214 C LEU A 765 -10.693 -25.683 -5.985 1.00 51.96 C ATOM 215 O LEU A 765 -10.132 -24.635 -6.167 1.00 51.75 O ATOM 216 CB LEU A 765 -10.620 -26.702 -3.691 1.00 50.49 C ATOM 217 CG LEU A 765 -11.150 -26.579 -2.281 1.00 50.35 C ATOM 218 CD1 LEU A 765 -10.731 -27.764 -1.453 1.00 49.10 C ATOM 219 CD2 LEU A 765 -10.766 -25.261 -1.642 1.00 45.73 C ATOM 220 H LEU A 765 -12.900 -27.532 -4.520 1.00 0.00 H ATOM 221 N LEU A 766 -10.688 -26.679 -6.858 1.00 43.73 N ATOM 222 CA LEU A 766 -10.055 -26.605 -8.145 1.00 44.88 C ATOM 223 C LEU A 766 -10.738 -25.544 -9.000 1.00 52.95 C ATOM 224 O LEU A 766 -10.091 -24.802 -9.705 1.00 58.21 O ATOM 225 CB LEU A 766 -10.055 -27.957 -8.843 1.00 43.40 C ATOM 226 CG LEU A 766 -9.097 -29.000 -8.289 1.00 47.58 C ATOM 227 CD1 LEU A 766 -9.061 -30.209 -9.183 1.00 47.30 C ATOM 228 CD2 LEU A 766 -7.704 -28.459 -8.072 1.00 41.68 C ATOM 229 H LEU A 766 -11.169 -27.563 -6.597 1.00 0.00 H ATOM 230 N SER A 767 -12.057 -25.495 -8.942 1.00 53.47 N ATOM 231 CA SER A 767 -12.808 -24.498 -9.674 1.00 51.76 C ATOM 232 C SER A 767 -12.500 -23.114 -9.142 1.00 51.37 C ATOM 233 O SER A 767 -12.415 -22.169 -9.897 1.00 54.03 O ATOM 234 CB SER A 767 -14.293 -24.804 -9.679 1.00 47.71 C ATOM 235 OG SER A 767 -14.487 -26.091 -10.163 1.00 49.45 O ATOM 236 HG SER A 767 -14.014 -26.736 -9.580 1.00 0.00 H ATOM 237 H SER A 767 -12.567 -26.188 -8.358 1.00 0.00 H ATOM 238 N THR A 768 -12.373 -22.996 -7.829 1.00 49.14 N ATOM 239 CA THR A 768 -12.015 -21.732 -7.185 1.00 46.74 C ATOM 240 C THR A 768 -10.589 -21.312 -7.545 1.00 45.39 C ATOM 241 O THR A 768 -10.318 -20.155 -7.755 1.00 47.34 O ATOM 242 CB THR A 768 -12.212 -21.771 -5.659 1.00 48.47 C ATOM 243 OG1 THR A 768 -13.598 -21.810 -5.365 1.00 57.65 O ATOM 244 CG2 THR A 768 -11.649 -20.545 -5.008 1.00 49.25 C ATOM 245 HG1 THR A 768 -13.998 -22.619 -5.772 1.00 0.00 H ATOM 246 H THR A 768 -12.534 -23.833 -7.233 1.00 0.00 H ATOM 247 N LEU A 769 -9.689 -22.282 -7.606 1.00 42.40 N ATOM 248 CA LEU A 769 -8.316 -22.047 -8.006 1.00 40.95 C ATOM 249 C LEU A 769 -8.249 -21.593 -9.465 1.00 38.42 C ATOM 250 O LEU A 769 -7.471 -20.750 -9.799 1.00 40.97 O ATOM 251 CB LEU A 769 -7.443 -23.269 -7.775 1.00 40.15 C ATOM 252 CG LEU A 769 -7.037 -23.490 -6.335 1.00 40.58 C ATOM 253 CD1 LEU A 769 -6.711 -24.936 -6.038 1.00 33.91 C ATOM 254 CD2 LEU A 769 -5.955 -22.536 -5.892 1.00 38.66 C ATOM 255 H LEU A 769 -9.979 -23.249 -7.357 1.00 0.00 H ATOM 256 N ASN A 770 -9.059 -22.191 -10.319 1.00 36.39 N ATOM 257 CA ASN A 770 -9.112 -21.826 -11.714 1.00 37.45 C ATOM 258 C ASN A 770 -9.621 -20.399 -11.874 1.00 41.99 C ATOM 259 O ASN A 770 -9.098 -19.626 -12.639 1.00 39.30 O ATOM 260 CB ASN A 770 -9.947 -22.841 -12.494 1.00 36.92 C ATOM 261 CG ASN A 770 -9.271 -24.180 -12.583 1.00 42.34 C ATOM 262 OD1 ASN A 770 -8.108 -24.287 -12.300 1.00 45.68 O ATOM 263 ND2 ASN A 770 -9.988 -25.187 -12.984 1.00 44.64 N ATOM 264 HD22 ASN A 770 -10.992 -25.050 -13.219 1.00 0.00 H ATOM 265 HD21 ASN A 770 -9.558 -26.130 -13.070 1.00 0.00 H ATOM 266 H ASN A 770 -9.680 -22.951 -9.975 1.00 0.00 H ATOM 267 N ARG A 771 -10.651 -20.074 -11.108 1.00 40.54 N ATOM 268 CA ARG A 771 -11.239 -18.768 -11.084 1.00 42.99 C ATOM 269 C ARG A 771 -10.255 -17.706 -10.564 1.00 43.57 C ATOM 270 O ARG A 771 -10.229 -16.613 -11.079 1.00 44.79 O ATOM 271 CB ARG A 771 -12.568 -18.799 -10.329 1.00 44.76 C ATOM 272 CG ARG A 771 -13.219 -17.463 -10.048 1.00 45.97 C ATOM 273 CD ARG A 771 -14.643 -17.608 -9.575 1.00 51.60 C ATOM 274 NE ARG A 771 -14.729 -17.778 -8.136 1.00 51.91 N ATOM 275 CZ ARG A 771 -14.996 -18.919 -7.527 1.00 52.27 C ATOM 276 NH1 ARG A 771 -15.239 -20.001 -8.217 1.00 50.60 N ATOM 277 NH2 ARG A 771 -15.028 -18.963 -6.220 1.00 62.34 N ATOM 278 HE ARG A 771 -14.569 -16.940 -7.541 1.00 0.00 H ATOM 279 HH12 ARG A 771 -15.448 -20.894 -7.727 1.00 0.00 H ATOM 280 HH11 ARG A 771 -15.223 -19.969 -9.256 1.00 0.00 H ATOM 281 HH22 ARG A 771 -15.238 -19.859 -5.735 1.00 0.00 H ATOM 282 HH21 ARG A 771 -14.844 -18.102 -5.666 1.00 0.00 H ATOM 283 H ARG A 771 -11.055 -20.807 -10.490 1.00 0.00 H ATOM 284 N LEU A 772 -9.471 -18.047 -9.542 1.00 43.49 N ATOM 285 CA LEU A 772 -8.465 -17.144 -8.979 1.00 37.77 C ATOM 286 C LEU A 772 -7.355 -16.834 -9.974 1.00 36.26 C ATOM 287 O LEU A 772 -6.936 -15.725 -10.099 1.00 32.38 O ATOM 288 CB LEU A 772 -7.898 -17.632 -7.636 1.00 38.33 C ATOM 289 CG LEU A 772 -6.909 -16.756 -6.881 1.00 35.08 C ATOM 290 CD1 LEU A 772 -7.415 -15.351 -6.671 1.00 33.56 C ATOM 291 CD2 LEU A 772 -6.412 -17.364 -5.595 1.00 32.13 C ATOM 292 H LEU A 772 -9.578 -18.994 -9.127 1.00 0.00 H ATOM 293 N ALA A 773 -6.931 -17.854 -10.694 1.00 36.00 N ATOM 294 CA ALA A 773 -5.907 -17.790 -11.691 1.00 36.16 C ATOM 295 C ALA A 773 -6.264 -16.837 -12.844 1.00 41.19 C ATOM 296 O ALA A 773 -5.419 -16.122 -13.314 1.00 43.01 O ATOM 297 CB ALA A 773 -5.630 -19.183 -12.204 1.00 32.49 C ATOM 298 H ALA A 773 -7.376 -18.778 -10.524 1.00 0.00 H ATOM 299 N GLY A 774 -7.512 -16.829 -13.275 1.00 42.60 N ATOM 300 CA GLY A 774 -7.951 -15.944 -14.322 1.00 41.90 C ATOM 301 C GLY A 774 -7.887 -14.483 -13.973 1.00 45.87 C ATOM 302 O GLY A 774 -7.459 -13.692 -14.783 1.00 49.73 O ATOM 303 H GLY A 774 -8.198 -17.482 -12.845 1.00 0.00 H ATOM 304 N LYS A 775 -8.325 -14.131 -12.771 1.00 47.18 N ATOM 305 CA LYS A 775 -8.272 -12.760 -12.281 1.00 51.31 C ATOM 306 C LYS A 775 -6.834 -12.305 -12.147 1.00 47.53 C ATOM 307 O LYS A 775 -6.505 -11.177 -12.422 1.00 56.50 O ATOM 308 CB LYS A 775 -8.984 -12.622 -10.944 1.00 52.32 C ATOM 309 CG LYS A 775 -10.252 -13.420 -10.834 1.00 60.90 C ATOM 310 CD LYS A 775 -11.181 -12.846 -9.784 1.00 71.90 C ATOM 311 CE LYS A 775 -12.078 -13.903 -9.165 1.00 69.37 C ATOM 312 NZ LYS A 775 -13.186 -13.302 -8.384 1.00 69.25 N ATOM 313 HZ1 LYS A 775 -12.792 -12.720 -7.618 1.00 0.00 H ATOM 314 HZ2 LYS A 775 -13.767 -12.708 -9.009 1.00 0.00 H ATOM 315 HZ3 LYS A 775 -13.773 -14.059 -7.979 1.00 0.00 H ATOM 316 H LYS A 775 -8.723 -14.866 -12.152 1.00 0.00 H ATOM 317 N GLN A 776 -5.993 -13.214 -11.691 1.00 44.60 N ATOM 318 CA GLN A 776 -4.578 -13.003 -11.522 1.00 40.41 C ATOM 319 C GLN A 776 -3.889 -12.766 -12.861 1.00 38.12 C ATOM 320 O GLN A 776 -2.949 -12.022 -12.978 1.00 38.74 O ATOM 321 CB GLN A 776 -3.969 -14.174 -10.762 1.00 40.67 C ATOM 322 CG GLN A 776 -4.059 -14.026 -9.265 1.00 41.68 C ATOM 323 CD GLN A 776 -3.075 -13.027 -8.700 1.00 51.18 C ATOM 324 OE1 GLN A 776 -3.127 -12.701 -7.530 1.00 54.49 O ATOM 325 NE2 GLN A 776 -2.161 -12.561 -9.521 1.00 51.75 N ATOM 326 HE22 GLN A 776 -2.151 -12.865 -10.515 1.00 0.00 H ATOM 327 HE21 GLN A 776 -1.447 -11.888 -9.176 1.00 0.00 H ATOM 328 H GLN A 776 -6.378 -14.146 -11.436 1.00 0.00 H ATOM 329 N MET A 777 -4.415 -13.424 -13.868 1.00 38.58 N ATOM 330 CA MET A 777 -3.915 -13.353 -15.211 1.00 41.09 C ATOM 331 C MET A 777 -3.982 -11.925 -15.741 1.00 41.87 C ATOM 332 O MET A 777 -3.120 -11.509 -16.477 1.00 40.00 O ATOM 333 CB MET A 777 -4.662 -14.335 -16.108 1.00 43.39 C ATOM 334 CG MET A 777 -3.927 -15.636 -16.354 1.00 49.34 C ATOM 335 SD MET A 777 -2.238 -15.742 -15.748 1.00 60.15 S ATOM 336 CE MET A 777 -1.375 -15.422 -17.260 1.00 55.87 C ATOM 337 H MET A 777 -5.239 -14.030 -13.682 1.00 0.00 H ATOM 338 N ILE A 778 -5.022 -11.209 -15.347 1.00 38.71 N ATOM 339 CA ILE A 778 -5.218 -9.821 -15.683 1.00 42.23 C ATOM 340 C ILE A 778 -4.107 -8.975 -15.070 1.00 38.03 C ATOM 341 O ILE A 778 -3.523 -8.147 -15.719 1.00 36.42 O ATOM 342 CB ILE A 778 -6.569 -9.324 -15.129 1.00 45.84 C ATOM 343 CG1 ILE A 778 -7.741 -10.021 -15.795 1.00 41.24 C ATOM 344 CG2 ILE A 778 -6.710 -7.824 -15.240 1.00 42.83 C ATOM 345 CD1 ILE A 778 -8.996 -9.883 -14.995 1.00 47.45 C ATOM 346 H ILE A 778 -5.742 -11.676 -14.759 1.00 0.00 H ATOM 347 N GLN A 779 -3.831 -9.213 -13.805 1.00 38.94 N ATOM 348 CA GLN A 779 -2.808 -8.506 -13.093 1.00 37.29 C ATOM 349 C GLN A 779 -1.489 -8.784 -13.762 1.00 37.26 C ATOM 350 O GLN A 779 -0.668 -7.913 -13.862 1.00 41.47 O ATOM 351 CB GLN A 779 -2.765 -8.929 -11.636 1.00 38.16 C ATOM 352 CG GLN A 779 -3.924 -8.497 -10.763 1.00 40.91 C ATOM 353 CD GLN A 779 -4.462 -7.121 -11.052 1.00 42.42 C ATOM 354 OE1 GLN A 779 -5.576 -6.978 -11.506 1.00 46.27 O ATOM 355 NE2 GLN A 779 -3.688 -6.111 -10.754 1.00 43.33 N ATOM 356 HE22 GLN A 779 -2.738 -6.281 -10.366 1.00 0.00 H ATOM 357 HE21 GLN A 779 -4.022 -5.138 -10.905 1.00 0.00 H ATOM 358 H GLN A 779 -4.377 -9.942 -13.303 1.00 0.00 H ATOM 359 N VAL A 780 -1.293 -10.005 -14.219 1.00 36.88 N ATOM 360 CA VAL A 780 -0.068 -10.381 -14.905 1.00 39.18 C ATOM 361 C VAL A 780 0.124 -9.606 -16.215 1.00 38.76 C ATOM 362 O VAL A 780 1.187 -9.107 -16.467 1.00 37.61 O ATOM 363 CB VAL A 780 0.017 -11.922 -15.112 1.00 38.53 C ATOM 364 CG1 VAL A 780 1.224 -12.354 -15.907 1.00 38.39 C ATOM 365 CG2 VAL A 780 0.041 -12.628 -13.796 1.00 34.73 C ATOM 366 H VAL A 780 -2.036 -10.720 -14.085 1.00 0.00 H ATOM 367 N VAL A 781 -0.931 -9.503 -17.010 1.00 38.44 N ATOM 368 CA VAL A 781 -0.941 -8.763 -18.258 1.00 37.83 C ATOM 369 C VAL A 781 -0.699 -7.265 -18.032 1.00 38.86 C ATOM 370 O VAL A 781 0.035 -6.641 -18.753 1.00 45.15 O ATOM 371 CB VAL A 781 -2.250 -9.051 -19.033 1.00 39.85 C ATOM 372 CG1 VAL A 781 -2.584 -7.981 -20.045 1.00 37.56 C ATOM 373 CG2 VAL A 781 -2.190 -10.395 -19.707 1.00 34.46 C ATOM 374 H VAL A 781 -1.807 -9.983 -16.721 1.00 0.00 H ATOM 375 N LYS A 782 -1.330 -6.717 -17.012 1.00 39.13 N ATOM 376 CA LYS A 782 -1.180 -5.341 -16.608 1.00 39.11 C ATOM 377 C LYS A 782 0.254 -5.054 -16.142 1.00 38.55 C ATOM 378 O LYS A 782 0.791 -4.021 -16.431 1.00 42.52 O ATOM 379 CB LYS A 782 -2.214 -5.036 -15.537 1.00 39.95 C ATOM 380 CG LYS A 782 -2.222 -3.679 -14.901 1.00 39.49 C ATOM 381 CD LYS A 782 -3.205 -3.743 -13.759 1.00 40.41 C ATOM 382 CE LYS A 782 -3.516 -2.396 -13.152 1.00 46.51 C ATOM 383 NZ LYS A 782 -2.415 -1.409 -13.245 1.00 43.75 N ATOM 384 HZ1 LYS A 782 -1.578 -1.778 -12.750 1.00 0.00 H ATOM 385 HZ2 LYS A 782 -2.183 -1.244 -14.245 1.00 0.00 H ATOM 386 HZ3 LYS A 782 -2.714 -0.515 -12.805 1.00 0.00 H ATOM 387 H LYS A 782 -1.978 -7.317 -16.463 1.00 0.00 H ATOM 388 N TRP A 783 0.844 -5.975 -15.395 1.00 38.19 N ATOM 389 CA TRP A 783 2.219 -5.886 -14.944 1.00 36.44 C ATOM 390 C TRP A 783 3.255 -6.013 -16.089 1.00 38.92 C ATOM 391 O TRP A 783 4.170 -5.250 -16.184 1.00 35.06 O ATOM 392 CB TRP A 783 2.452 -6.973 -13.881 1.00 33.79 C ATOM 393 CG TRP A 783 3.888 -7.348 -13.568 1.00 37.69 C ATOM 394 CD1 TRP A 783 4.696 -6.736 -12.702 1.00 39.04 C ATOM 395 CD2 TRP A 783 4.645 -8.437 -14.108 1.00 35.94 C ATOM 396 NE1 TRP A 783 5.899 -7.338 -12.668 1.00 36.65 N ATOM 397 CE2 TRP A 783 5.895 -8.403 -13.514 1.00 34.79 C ATOM 398 CE3 TRP A 783 4.378 -9.432 -15.039 1.00 38.39 C ATOM 399 CZ2 TRP A 783 6.900 -9.322 -13.823 1.00 38.20 C ATOM 400 CZ3 TRP A 783 5.351 -10.337 -15.344 1.00 37.75 C ATOM 401 CH2 TRP A 783 6.603 -10.284 -14.736 1.00 38.13 C ATOM 402 HE1 TRP A 783 6.706 -7.036 -12.086 1.00 0.00 H ATOM 403 H TRP A 783 0.289 -6.809 -15.116 1.00 0.00 H ATOM 404 N ALA A 784 3.063 -6.999 -16.948 1.00 40.51 N ATOM 405 CA ALA A 784 3.937 -7.274 -18.070 1.00 42.56 C ATOM 406 C ALA A 784 3.986 -6.158 -19.093 1.00 41.40 C ATOM 407 O ALA A 784 5.008 -5.852 -19.664 1.00 38.31 O ATOM 408 CB ALA A 784 3.547 -8.585 -18.725 1.00 44.02 C ATOM 409 H ALA A 784 2.236 -7.614 -16.810 1.00 0.00 H ATOM 410 N LYS A 785 2.843 -5.532 -19.257 1.00 42.10 N ATOM 411 CA LYS A 785 2.653 -4.483 -20.200 1.00 46.03 C ATOM 412 C LYS A 785 3.604 -3.320 -19.980 1.00 48.59 C ATOM 413 O LYS A 785 4.120 -2.772 -20.924 1.00 54.04 O ATOM 414 CB LYS A 785 1.222 -4.001 -20.065 1.00 48.51 C ATOM 415 CG LYS A 785 0.931 -2.716 -20.779 1.00 54.61 C ATOM 416 CD LYS A 785 -0.411 -2.773 -21.443 1.00 63.29 C ATOM 417 CE LYS A 785 -1.075 -1.417 -21.479 1.00 71.80 C ATOM 418 NZ LYS A 785 -2.504 -1.477 -21.072 1.00 71.09 N ATOM 419 HZ1 LYS A 785 -3.021 -2.107 -21.718 1.00 0.00 H ATOM 420 HZ2 LYS A 785 -2.572 -1.844 -20.101 1.00 0.00 H ATOM 421 HZ3 LYS A 785 -2.915 -0.523 -21.113 1.00 0.00 H ATOM 422 H LYS A 785 2.035 -5.818 -18.667 1.00 0.00 H ATOM 423 N VAL A 786 3.833 -2.957 -18.737 1.00 41.97 N ATOM 424 CA VAL A 786 4.699 -1.860 -18.435 1.00 42.22 C ATOM 425 C VAL A 786 6.156 -2.218 -18.158 1.00 46.12 C ATOM 426 O VAL A 786 6.938 -1.368 -17.816 1.00 53.29 O ATOM 427 CB VAL A 786 4.097 -0.995 -17.315 1.00 44.64 C ATOM 428 CG1 VAL A 786 2.990 -0.136 -17.894 1.00 35.40 C ATOM 429 CG2 VAL A 786 3.605 -1.853 -16.166 1.00 38.86 C ATOM 430 H VAL A 786 3.376 -3.477 -17.960 1.00 0.00 H ATOM 431 N LEU A 787 6.508 -3.477 -18.326 1.00 45.02 N ATOM 432 CA LEU A 787 7.848 -3.941 -18.076 1.00 44.35 C ATOM 433 C LEU A 787 8.828 -3.367 -19.044 1.00 45.75 C ATOM 434 O LEU A 787 8.620 -3.420 -20.217 1.00 49.86 O ATOM 435 CB LEU A 787 7.920 -5.460 -18.175 1.00 45.79 C ATOM 436 CG LEU A 787 7.666 -6.246 -16.912 1.00 46.75 C ATOM 437 CD1 LEU A 787 7.263 -7.665 -17.235 1.00 40.57 C ATOM 438 CD2 LEU A 787 8.907 -6.193 -16.045 1.00 47.98 C ATOM 439 H LEU A 787 5.793 -4.159 -18.650 1.00 0.00 H ATOM 440 N PRO A 788 9.935 -2.822 -18.546 1.00 44.46 N ATOM 441 CA PRO A 788 10.951 -2.250 -19.427 1.00 42.60 C ATOM 442 C PRO A 788 11.588 -3.289 -20.345 1.00 42.44 C ATOM 443 O PRO A 788 11.958 -4.340 -19.896 1.00 41.46 O ATOM 444 CB PRO A 788 11.977 -1.678 -18.450 1.00 45.44 C ATOM 445 CG PRO A 788 11.205 -1.386 -17.233 1.00 44.51 C ATOM 446 CD PRO A 788 10.188 -2.477 -17.142 1.00 46.40 C ATOM 447 N GLY A 789 11.703 -2.956 -21.622 1.00 41.88 N ATOM 448 CA GLY A 789 12.220 -3.830 -22.658 1.00 41.13 C ATOM 449 C GLY A 789 11.160 -4.726 -23.257 1.00 44.28 C ATOM 450 O GLY A 789 10.999 -4.778 -24.454 1.00 43.82 O ATOM 451 H GLY A 789 11.401 -2.001 -21.902 1.00 0.00 H ATOM 452 N PHE A 790 10.403 -5.389 -22.405 1.00 43.03 N ATOM 453 CA PHE A 790 9.356 -6.284 -22.803 1.00 43.80 C ATOM 454 C PHE A 790 8.287 -5.575 -23.645 1.00 45.33 C ATOM 455 O PHE A 790 7.776 -6.134 -24.612 1.00 46.17 O ATOM 456 CB PHE A 790 8.734 -6.877 -21.529 1.00 44.94 C ATOM 457 CG PHE A 790 7.660 -7.871 -21.786 1.00 38.12 C ATOM 458 CD1 PHE A 790 7.972 -9.177 -22.037 1.00 37.92 C ATOM 459 CD2 PHE A 790 6.352 -7.486 -21.824 1.00 37.89 C ATOM 460 CE1 PHE A 790 6.990 -10.089 -22.282 1.00 37.74 C ATOM 461 CE2 PHE A 790 5.370 -8.387 -22.074 1.00 40.27 C ATOM 462 CZ PHE A 790 5.687 -9.696 -22.293 1.00 35.76 C ATOM 463 H PHE A 790 10.575 -5.255 -21.388 1.00 0.00 H ATOM 464 N LYS A 791 7.977 -4.343 -23.264 1.00 39.39 N ATOM 465 CA LYS A 791 6.986 -3.530 -23.957 1.00 41.99 C ATOM 466 C LYS A 791 7.336 -3.116 -25.389 1.00 41.38 C ATOM 467 O LYS A 791 6.470 -2.791 -26.155 1.00 43.62 O ATOM 468 CB LYS A 791 6.519 -2.351 -23.111 1.00 40.18 C ATOM 469 CG LYS A 791 7.605 -1.465 -22.565 1.00 44.47 C ATOM 470 CD LYS A 791 7.039 -0.583 -21.491 1.00 44.45 C ATOM 471 CE LYS A 791 8.016 0.501 -21.139 1.00 53.62 C ATOM 472 NZ LYS A 791 8.288 1.409 -22.281 1.00 59.35 N ATOM 473 HZ1 LYS A 791 8.685 0.861 -23.071 1.00 0.00 H ATOM 474 HZ2 LYS A 791 7.401 1.860 -22.582 1.00 0.00 H ATOM 475 HZ3 LYS A 791 8.968 2.139 -21.987 1.00 0.00 H ATOM 476 H LYS A 791 8.461 -3.941 -22.436 1.00 0.00 H ATOM 477 N ASN A 792 8.608 -3.125 -25.738 1.00 41.16 N ATOM 478 CA ASN A 792 9.005 -2.787 -27.086 1.00 41.67 C ATOM 479 C ASN A 792 8.966 -3.993 -27.984 1.00 41.24 C ATOM 480 O ASN A 792 9.133 -3.879 -29.162 1.00 47.97 O ATOM 481 CB ASN A 792 10.386 -2.138 -27.139 1.00 42.00 C ATOM 482 CG ASN A 792 10.607 -1.138 -26.039 1.00 41.99 C ATOM 483 OD1 ASN A 792 9.796 -0.266 -25.811 1.00 38.07 O ATOM 484 ND2 ASN A 792 11.729 -1.255 -25.366 1.00 40.82 N ATOM 485 HD22 ASN A 792 12.396 -2.019 -25.596 1.00 0.00 H ATOM 486 HD21 ASN A 792 11.950 -0.584 -24.603 1.00 0.00 H ATOM 487 H ASN A 792 9.333 -3.378 -25.036 1.00 0.00 H ATOM 488 N LEU A 793 8.768 -5.147 -27.396 1.00 39.88 N ATOM 489 CA LEU A 793 8.721 -6.353 -28.137 1.00 35.35 C ATOM 490 C LEU A 793 7.447 -6.408 -28.911 1.00 38.12 C ATOM 491 O LEU A 793 6.464 -5.814 -28.541 1.00 38.07 O ATOM 492 CB LEU A 793 8.827 -7.553 -27.219 1.00 38.77 C ATOM 493 CG LEU A 793 10.169 -7.973 -26.642 1.00 40.19 C ATOM 494 CD1 LEU A 793 9.957 -9.190 -25.772 1.00 33.76 C ATOM 495 CD2 LEU A 793 11.190 -8.254 -27.727 1.00 40.71 C ATOM 496 H LEU A 793 8.643 -5.178 -26.364 1.00 0.00 H ATOM 497 N PRO A 794 7.439 -7.173 -29.986 1.00 38.31 N ATOM 498 CA PRO A 794 6.235 -7.326 -30.777 1.00 35.95 C ATOM 499 C PRO A 794 5.171 -7.858 -29.848 1.00 39.49 C ATOM 500 O PRO A 794 5.423 -8.636 -28.960 1.00 38.10 O ATOM 501 CB PRO A 794 6.611 -8.392 -31.796 1.00 37.34 C ATOM 502 CG PRO A 794 8.057 -8.328 -31.899 1.00 38.62 C ATOM 503 CD PRO A 794 8.605 -7.768 -30.633 1.00 36.99 C ATOM 504 N LEU A 795 3.962 -7.402 -30.084 1.00 46.37 N ATOM 505 CA LEU A 795 2.820 -7.733 -29.278 1.00 45.78 C ATOM 506 C LEU A 795 2.518 -9.217 -29.260 1.00 46.35 C ATOM 507 O LEU A 795 2.227 -9.771 -28.230 1.00 44.47 O ATOM 508 CB LEU A 795 1.637 -6.937 -29.792 1.00 49.43 C ATOM 509 CG LEU A 795 0.247 -7.068 -29.215 1.00 57.81 C ATOM 510 CD1 LEU A 795 0.241 -6.633 -27.764 1.00 52.93 C ATOM 511 CD2 LEU A 795 -0.674 -6.214 -30.049 1.00 58.36 C ATOM 512 H LEU A 795 3.824 -6.768 -30.897 1.00 0.00 H ATOM 513 N GLU A 796 2.628 -9.864 -30.404 1.00 45.13 N ATOM 514 CA GLU A 796 2.374 -11.280 -30.489 1.00 41.69 C ATOM 515 C GLU A 796 3.366 -11.973 -29.580 1.00 39.22 C ATOM 516 O GLU A 796 3.023 -12.900 -28.899 1.00 39.44 O ATOM 517 CB GLU A 796 2.444 -11.771 -31.934 1.00 42.61 C ATOM 518 CG GLU A 796 3.258 -10.876 -32.859 1.00 53.10 C ATOM 519 CD GLU A 796 2.603 -9.552 -33.189 1.00 51.97 C ATOM 520 OE1 GLU A 796 3.216 -8.526 -32.932 1.00 52.87 O ATOM 521 OE2 GLU A 796 1.487 -9.538 -33.721 1.00 51.71 O ATOM 522 H GLU A 796 2.903 -9.343 -31.261 1.00 0.00 H ATOM 523 N ASP A 797 4.588 -11.481 -29.562 1.00 39.73 N ATOM 524 CA ASP A 797 5.657 -11.991 -28.733 1.00 39.77 C ATOM 525 C ASP A 797 5.394 -11.882 -27.230 1.00 40.11 C ATOM 526 O ASP A 797 5.729 -12.759 -26.494 1.00 40.34 O ATOM 527 CB ASP A 797 6.939 -11.212 -29.047 1.00 39.01 C ATOM 528 CG ASP A 797 7.738 -11.813 -30.168 1.00 41.97 C ATOM 529 OD1 ASP A 797 7.296 -12.788 -30.740 1.00 39.00 O ATOM 530 OD2 ASP A 797 8.816 -11.291 -30.461 1.00 40.57 O ATOM 531 H ASP A 797 4.797 -10.674 -30.184 1.00 0.00 H ATOM 532 N GLN A 798 4.827 -10.764 -26.800 1.00 43.69 N ATOM 533 CA GLN A 798 4.517 -10.493 -25.405 1.00 40.19 C ATOM 534 C GLN A 798 3.484 -11.463 -24.876 1.00 41.60 C ATOM 535 O GLN A 798 3.629 -11.993 -23.811 1.00 40.98 O ATOM 536 CB GLN A 798 4.047 -9.048 -25.237 1.00 37.55 C ATOM 537 CG GLN A 798 5.090 -8.011 -25.560 1.00 41.73 C ATOM 538 CD GLN A 798 4.570 -6.585 -25.489 1.00 47.07 C ATOM 539 OE1 GLN A 798 3.877 -6.238 -24.569 1.00 50.00 O ATOM 540 NE2 GLN A 798 4.927 -5.763 -26.451 1.00 44.35 N ATOM 541 HE22 GLN A 798 5.528 -6.103 -27.229 1.00 0.00 H ATOM 542 HE21 GLN A 798 4.609 -4.773 -26.434 1.00 0.00 H ATOM 543 H GLN A 798 4.589 -10.036 -27.503 1.00 0.00 H ATOM 544 N ILE A 799 2.461 -11.671 -25.686 1.00 38.92 N ATOM 545 CA ILE A 799 1.372 -12.580 -25.446 1.00 36.99 C ATOM 546 C ILE A 799 1.831 -14.031 -25.381 1.00 35.99 C ATOM 547 O ILE A 799 1.380 -14.773 -24.537 1.00 35.48 O ATOM 548 CB ILE A 799 0.309 -12.439 -26.554 1.00 39.01 C ATOM 549 CG1 ILE A 799 -0.298 -11.063 -26.519 1.00 42.33 C ATOM 550 CG2 ILE A 799 -0.781 -13.478 -26.418 1.00 40.38 C ATOM 551 CD1 ILE A 799 -1.023 -10.666 -27.783 1.00 50.72 C ATOM 552 H ILE A 799 2.441 -11.131 -26.574 1.00 0.00 H ATOM 553 N THR A 800 2.720 -14.407 -26.288 1.00 32.62 N ATOM 554 CA THR A 800 3.260 -15.749 -26.342 1.00 34.56 C ATOM 555 C THR A 800 4.024 -16.045 -25.061 1.00 35.35 C ATOM 556 O THR A 800 3.923 -17.106 -24.533 1.00 33.34 O ATOM 557 CB THR A 800 4.215 -15.948 -27.559 1.00 37.29 C ATOM 558 OG1 THR A 800 3.473 -16.035 -28.758 1.00 39.89 O ATOM 559 CG2 THR A 800 5.060 -17.185 -27.446 1.00 35.20 C ATOM 560 HG1 THR A 800 2.956 -15.200 -28.886 1.00 0.00 H ATOM 561 H THR A 800 3.043 -13.710 -26.989 1.00 0.00 H ATOM 562 N LEU A 801 4.825 -15.093 -24.629 1.00 33.81 N ATOM 563 CA LEU A 801 5.615 -15.232 -23.439 1.00 34.45 C ATOM 564 C LEU A 801 4.724 -15.361 -22.231 1.00 34.63 C ATOM 565 O LEU A 801 4.975 -16.143 -21.369 1.00 36.03 O ATOM 566 CB LEU A 801 6.585 -14.068 -23.271 1.00 32.29 C ATOM 567 CG LEU A 801 7.754 -14.156 -24.228 1.00 31.99 C ATOM 568 CD1 LEU A 801 8.517 -12.873 -24.429 1.00 31.83 C ATOM 569 CD2 LEU A 801 8.635 -15.346 -23.976 1.00 32.92 C ATOM 570 H LEU A 801 4.887 -14.207 -25.171 1.00 0.00 H ATOM 571 N ILE A 802 3.682 -14.559 -22.192 1.00 33.78 N ATOM 572 CA ILE A 802 2.750 -14.588 -21.106 1.00 35.48 C ATOM 573 C ILE A 802 1.951 -15.890 -20.992 1.00 38.23 C ATOM 574 O ILE A 802 1.778 -16.406 -19.920 1.00 43.23 O ATOM 575 CB ILE A 802 1.863 -13.338 -21.113 1.00 35.54 C ATOM 576 CG1 ILE A 802 2.731 -12.092 -21.026 1.00 34.31 C ATOM 577 CG2 ILE A 802 0.825 -13.387 -20.016 1.00 34.23 C ATOM 578 CD1 ILE A 802 2.060 -10.846 -21.495 1.00 34.16 C ATOM 579 H ILE A 802 3.531 -13.886 -22.971 1.00 0.00 H ATOM 580 N GLN A 803 1.489 -16.407 -22.107 1.00 38.74 N ATOM 581 CA GLN A 803 0.780 -17.649 -22.105 1.00 40.50 C ATOM 582 C GLN A 803 1.667 -18.815 -21.657 1.00 40.80 C ATOM 583 O GLN A 803 1.243 -19.658 -20.892 1.00 47.50 O ATOM 584 CB GLN A 803 0.163 -17.913 -23.476 1.00 39.00 C ATOM 585 CG GLN A 803 -0.611 -16.746 -24.041 1.00 45.84 C ATOM 586 CD GLN A 803 -1.435 -17.107 -25.263 1.00 49.61 C ATOM 587 OE1 GLN A 803 -0.956 -17.731 -26.181 1.00 56.51 O ATOM 588 NE2 GLN A 803 -2.673 -16.734 -25.256 1.00 44.54 N ATOM 589 HE22 GLN A 803 -3.050 -16.198 -24.448 1.00 0.00 H ATOM 590 HE21 GLN A 803 -3.292 -16.970 -26.058 1.00 0.00 H ATOM 591 H GLN A 803 1.641 -15.906 -23.005 1.00 0.00 H ATOM 592 N TYR A 804 2.891 -18.850 -22.147 1.00 38.68 N ATOM 593 CA TYR A 804 3.820 -19.898 -21.800 1.00 42.88 C ATOM 594 C TYR A 804 4.188 -19.952 -20.321 1.00 41.65 C ATOM 595 O TYR A 804 4.267 -21.000 -19.723 1.00 41.86 O ATOM 596 CB TYR A 804 5.121 -19.697 -22.547 1.00 48.35 C ATOM 597 CG TYR A 804 5.209 -20.345 -23.893 1.00 55.15 C ATOM 598 CD1 TYR A 804 4.500 -21.495 -24.190 1.00 54.59 C ATOM 599 CD2 TYR A 804 6.016 -19.805 -24.867 1.00 59.29 C ATOM 600 CE1 TYR A 804 4.607 -22.086 -25.423 1.00 62.90 C ATOM 601 CE2 TYR A 804 6.121 -20.375 -26.100 1.00 64.47 C ATOM 602 CZ TYR A 804 5.419 -21.517 -26.379 1.00 68.12 C ATOM 603 OH TYR A 804 5.534 -22.068 -27.621 1.00 68.38 O ATOM 604 HH TYR A 804 4.973 -22.882 -27.673 1.00 0.00 H ATOM 605 H TYR A 804 3.195 -18.101 -22.802 1.00 0.00 H ATOM 606 N SER A 805 4.399 -18.786 -19.770 1.00 37.92 N ATOM 607 CA SER A 805 4.820 -18.620 -18.421 1.00 38.68 C ATOM 608 C SER A 805 3.744 -18.374 -17.356 1.00 38.65 C ATOM 609 O SER A 805 4.067 -18.106 -16.245 1.00 40.03 O ATOM 610 CB SER A 805 5.950 -17.581 -18.359 1.00 37.42 C ATOM 611 OG SER A 805 5.476 -16.280 -18.269 1.00 46.19 O ATOM 612 HG SER A 805 4.920 -16.077 -19.062 1.00 0.00 H ATOM 613 H SER A 805 4.251 -17.934 -20.348 1.00 0.00 H ATOM 614 N TRP A 806 2.482 -18.526 -17.691 1.00 36.71 N ATOM 615 CA TRP A 806 1.424 -18.230 -16.752 1.00 36.42 C ATOM 616 C TRP A 806 1.393 -18.988 -15.450 1.00 37.51 C ATOM 617 O TRP A 806 1.152 -18.397 -14.437 1.00 35.75 O ATOM 618 CB TRP A 806 0.058 -18.331 -17.433 1.00 37.42 C ATOM 619 CG TRP A 806 -0.529 -19.715 -17.547 1.00 37.40 C ATOM 620 CD1 TRP A 806 -0.358 -20.572 -18.563 1.00 41.33 C ATOM 621 CD2 TRP A 806 -1.368 -20.378 -16.618 1.00 38.53 C ATOM 622 NE1 TRP A 806 -1.035 -21.720 -18.350 1.00 39.05 N ATOM 623 CE2 TRP A 806 -1.662 -21.631 -17.150 1.00 39.46 C ATOM 624 CE3 TRP A 806 -1.889 -20.047 -15.376 1.00 41.82 C ATOM 625 CZ2 TRP A 806 -2.465 -22.541 -16.495 1.00 41.48 C ATOM 626 CZ3 TRP A 806 -2.675 -20.941 -14.743 1.00 39.96 C ATOM 627 CH2 TRP A 806 -2.968 -22.165 -15.301 1.00 39.55 C ATOM 628 HE1 TRP A 806 -1.070 -22.534 -18.996 1.00 0.00 H ATOM 629 H TRP A 806 2.242 -18.864 -18.645 1.00 0.00 H ATOM 630 N MET A 807 1.604 -20.291 -15.501 1.00 41.83 N ATOM 631 CA MET A 807 1.605 -21.102 -14.312 1.00 39.65 C ATOM 632 C MET A 807 2.777 -20.771 -13.392 1.00 41.35 C ATOM 633 O MET A 807 2.648 -20.696 -12.190 1.00 41.99 O ATOM 634 CB MET A 807 1.558 -22.577 -14.658 1.00 34.62 C ATOM 635 CG MET A 807 1.428 -23.487 -13.453 1.00 36.22 C ATOM 636 SD MET A 807 -0.063 -23.315 -12.487 1.00 39.27 S ATOM 637 CE MET A 807 -1.202 -24.312 -13.405 1.00 36.32 C ATOM 638 H MET A 807 1.774 -20.742 -16.423 1.00 0.00 H ATOM 639 N SER A 808 3.918 -20.587 -14.017 1.00 37.67 N ATOM 640 CA SER A 808 5.137 -20.257 -13.364 1.00 41.25 C ATOM 641 C SER A 808 5.047 -18.881 -12.665 1.00 42.41 C ATOM 642 O SER A 808 5.464 -18.748 -11.534 1.00 36.52 O ATOM 643 CB SER A 808 6.247 -20.346 -14.405 1.00 41.62 C ATOM 644 OG SER A 808 7.460 -19.852 -13.957 1.00 58.48 O ATOM 645 HG SER A 808 8.136 -19.938 -14.676 1.00 0.00 H ATOM 646 H SER A 808 3.930 -20.689 -15.052 1.00 0.00 H ATOM 647 N LEU A 809 4.457 -17.905 -13.352 1.00 39.19 N ATOM 648 CA LEU A 809 4.232 -16.582 -12.806 1.00 37.22 C ATOM 649 C LEU A 809 3.253 -16.611 -11.623 1.00 35.29 C ATOM 650 O LEU A 809 3.497 -15.993 -10.624 1.00 35.83 O ATOM 651 CB LEU A 809 3.863 -15.554 -13.890 1.00 35.42 C ATOM 652 CG LEU A 809 5.063 -15.020 -14.682 1.00 37.72 C ATOM 653 CD1 LEU A 809 4.740 -13.976 -15.729 1.00 37.84 C ATOM 654 CD2 LEU A 809 6.139 -14.544 -13.761 1.00 33.10 C ATOM 655 H LEU A 809 4.144 -18.101 -14.324 1.00 0.00 H ATOM 656 N SER A 810 2.168 -17.346 -11.748 1.00 32.32 N ATOM 657 CA SER A 810 1.173 -17.466 -10.708 1.00 34.35 C ATOM 658 C SER A 810 1.712 -18.089 -9.443 1.00 38.54 C ATOM 659 O SER A 810 1.393 -17.676 -8.354 1.00 42.90 O ATOM 660 CB SER A 810 -0.021 -18.232 -11.227 1.00 33.33 C ATOM 661 OG SER A 810 -0.437 -17.670 -12.424 1.00 36.64 O ATOM 662 HG SER A 810 0.300 -17.716 -13.083 1.00 0.00 H ATOM 663 H SER A 810 2.020 -17.865 -12.637 1.00 0.00 H ATOM 664 N SER A 811 2.569 -19.084 -9.622 1.00 39.35 N ATOM 665 CA SER A 811 3.304 -19.805 -8.575 1.00 39.81 C ATOM 666 C SER A 811 4.330 -18.996 -7.826 1.00 39.04 C ATOM 667 O SER A 811 4.400 -19.032 -6.625 1.00 40.17 O ATOM 668 CB SER A 811 4.126 -20.923 -9.201 1.00 38.21 C ATOM 669 OG SER A 811 3.426 -22.079 -9.367 1.00 43.22 O ATOM 670 HG SER A 811 2.650 -21.912 -9.959 1.00 0.00 H ATOM 671 H SER A 811 2.738 -19.385 -10.603 1.00 0.00 H ATOM 672 N PHE A 812 5.187 -18.335 -8.577 1.00 38.00 N ATOM 673 CA PHE A 812 6.214 -17.518 -7.967 1.00 34.05 C ATOM 674 C PHE A 812 5.581 -16.419 -7.100 1.00 35.05 C ATOM 675 O PHE A 812 6.053 -16.120 -6.036 1.00 35.54 O ATOM 676 CB PHE A 812 7.161 -16.922 -9.009 1.00 34.01 C ATOM 677 CG PHE A 812 8.515 -16.584 -8.478 1.00 33.97 C ATOM 678 CD1 PHE A 812 9.298 -17.542 -7.899 1.00 34.20 C ATOM 679 CD2 PHE A 812 9.012 -15.316 -8.597 1.00 34.08 C ATOM 680 CE1 PHE A 812 10.541 -17.242 -7.408 1.00 36.02 C ATOM 681 CE2 PHE A 812 10.263 -15.008 -8.140 1.00 38.45 C ATOM 682 CZ PHE A 812 11.024 -15.971 -7.522 1.00 37.80 C ATOM 683 H PHE A 812 5.125 -18.401 -9.613 1.00 0.00 H ATOM 684 N ALA A 813 4.502 -15.851 -7.601 1.00 32.74 N ATOM 685 CA ALA A 813 3.752 -14.840 -6.904 1.00 34.12 C ATOM 686 C ALA A 813 3.083 -15.433 -5.674 1.00 34.92 C ATOM 687 O ALA A 813 2.964 -14.768 -4.690 1.00 39.00 O ATOM 688 CB ALA A 813 2.778 -14.108 -7.804 1.00 32.54 C ATOM 689 H ALA A 813 4.178 -16.147 -8.544 1.00 0.00 H ATOM 690 N LEU A 814 2.646 -16.687 -5.767 1.00 38.44 N ATOM 691 CA LEU A 814 2.045 -17.391 -4.657 1.00 37.90 C ATOM 692 C LEU A 814 3.036 -17.606 -3.490 1.00 36.38 C ATOM 693 O LEU A 814 2.680 -17.410 -2.376 1.00 36.54 O ATOM 694 CB LEU A 814 1.389 -18.698 -5.116 1.00 36.53 C ATOM 695 CG LEU A 814 0.948 -19.693 -4.065 1.00 38.16 C ATOM 696 CD1 LEU A 814 -0.259 -19.193 -3.313 1.00 39.95 C ATOM 697 CD2 LEU A 814 0.664 -21.025 -4.710 1.00 40.24 C ATOM 698 H LEU A 814 2.741 -17.181 -6.677 1.00 0.00 H ATOM 699 N SER A 815 4.272 -17.988 -3.776 1.00 34.55 N ATOM 700 CA SER A 815 5.299 -18.190 -2.750 1.00 33.44 C ATOM 701 C SER A 815 5.628 -16.919 -2.017 1.00 34.57 C ATOM 702 O SER A 815 5.812 -16.917 -0.834 1.00 33.82 O ATOM 703 CB SER A 815 6.604 -18.713 -3.339 1.00 31.25 C ATOM 704 OG SER A 815 6.377 -19.743 -4.217 1.00 41.31 O ATOM 705 HG SER A 815 5.802 -19.424 -4.957 1.00 0.00 H ATOM 706 H SER A 815 4.524 -18.152 -4.772 1.00 0.00 H ATOM 707 N TRP A 816 5.701 -15.852 -2.789 1.00 37.01 N ATOM 708 CA TRP A 816 5.966 -14.539 -2.310 1.00 38.10 C ATOM 709 C TRP A 816 4.863 -14.027 -1.366 1.00 39.34 C ATOM 710 O TRP A 816 5.168 -13.420 -0.390 1.00 40.63 O ATOM 711 CB TRP A 816 6.230 -13.612 -3.488 1.00 35.31 C ATOM 712 CG TRP A 816 6.513 -12.293 -3.058 1.00 37.52 C ATOM 713 CD1 TRP A 816 5.660 -11.266 -3.033 1.00 34.71 C ATOM 714 CD2 TRP A 816 7.733 -11.820 -2.492 1.00 36.89 C ATOM 715 NE1 TRP A 816 6.259 -10.180 -2.508 1.00 36.11 N ATOM 716 CE2 TRP A 816 7.542 -10.491 -2.173 1.00 36.45 C ATOM 717 CE3 TRP A 816 8.974 -12.393 -2.243 1.00 38.89 C ATOM 718 CZ2 TRP A 816 8.540 -9.715 -1.606 1.00 36.60 C ATOM 719 CZ3 TRP A 816 9.952 -11.622 -1.681 1.00 36.09 C ATOM 720 CH2 TRP A 816 9.735 -10.299 -1.383 1.00 33.17 C ATOM 721 HE1 TRP A 816 5.812 -9.250 -2.379 1.00 0.00 H ATOM 722 H TRP A 816 5.556 -15.978 -3.811 1.00 0.00 H ATOM 723 N ARG A 817 3.599 -14.244 -1.693 1.00 37.73 N ATOM 724 CA ARG A 817 2.506 -13.868 -0.819 1.00 36.55 C ATOM 725 C ARG A 817 2.559 -14.750 0.412 1.00 39.04 C ATOM 726 O ARG A 817 2.371 -14.299 1.518 1.00 40.33 O ATOM 727 CB ARG A 817 1.137 -13.968 -1.501 1.00 33.90 C ATOM 728 CG ARG A 817 0.883 -12.927 -2.557 1.00 31.33 C ATOM 729 CD ARG A 817 -0.550 -12.870 -3.050 1.00 31.17 C ATOM 730 NE ARG A 817 -1.076 -14.104 -3.582 1.00 31.17 N ATOM 731 CZ ARG A 817 -0.862 -14.580 -4.798 1.00 34.26 C ATOM 732 NH1 ARG A 817 -0.118 -13.926 -5.648 1.00 33.84 N ATOM 733 NH2 ARG A 817 -1.406 -15.719 -5.164 1.00 29.57 N ATOM 734 HE ARG A 817 -1.678 -14.671 -2.952 1.00 0.00 H ATOM 735 HH12 ARG A 817 0.043 -14.310 -6.601 1.00 0.00 H ATOM 736 HH11 ARG A 817 0.314 -13.021 -5.372 1.00 0.00 H ATOM 737 HH22 ARG A 817 -1.237 -16.092 -6.120 1.00 0.00 H ATOM 738 HH21 ARG A 817 -2.005 -16.247 -4.498 1.00 0.00 H ATOM 739 H ARG A 817 3.384 -14.698 -2.604 1.00 0.00 H ATOM 740 N SER A 818 2.843 -16.020 0.167 1.00 38.53 N ATOM 741 CA SER A 818 2.946 -17.015 1.209 1.00 38.73 C ATOM 742 C SER A 818 4.067 -16.670 2.169 1.00 41.03 C ATOM 743 O SER A 818 3.926 -16.837 3.358 1.00 38.36 O ATOM 744 CB SER A 818 3.125 -18.419 0.645 1.00 37.99 C ATOM 745 OG SER A 818 1.997 -18.855 -0.071 1.00 37.86 O ATOM 746 HG SER A 818 1.830 -18.239 -0.828 1.00 0.00 H ATOM 747 H SER A 818 2.999 -16.314 -0.818 1.00 0.00 H ATOM 748 N TYR A 819 5.166 -16.169 1.625 1.00 36.56 N ATOM 749 CA TYR A 819 6.302 -15.759 2.407 1.00 39.20 C ATOM 750 C TYR A 819 6.068 -14.549 3.287 1.00 39.54 C ATOM 751 O TYR A 819 6.358 -14.576 4.462 1.00 36.00 O ATOM 752 CB TYR A 819 7.445 -15.474 1.421 1.00 40.59 C ATOM 753 CG TYR A 819 8.744 -14.876 1.917 1.00 38.54 C ATOM 754 CD1 TYR A 819 9.440 -15.424 2.963 1.00 38.65 C ATOM 755 CD2 TYR A 819 9.303 -13.797 1.275 1.00 41.05 C ATOM 756 CE1 TYR A 819 10.623 -14.881 3.391 1.00 42.76 C ATOM 757 CE2 TYR A 819 10.504 -13.259 1.680 1.00 40.13 C ATOM 758 CZ TYR A 819 11.158 -13.814 2.743 1.00 41.39 C ATOM 759 OH TYR A 819 12.329 -13.291 3.172 1.00 46.23 O ATOM 760 HH TYR A 819 12.659 -13.814 3.945 1.00 0.00 H ATOM 761 H TYR A 819 5.209 -16.068 0.591 1.00 0.00 H ATOM 762 N LYS A 820 5.569 -13.482 2.687 1.00 43.83 N ATOM 763 CA LYS A 820 5.298 -12.248 3.397 1.00 46.98 C ATOM 764 C LYS A 820 4.170 -12.288 4.407 1.00 53.42 C ATOM 765 O LYS A 820 4.312 -11.793 5.496 1.00 59.18 O ATOM 766 CB LYS A 820 5.019 -11.124 2.414 1.00 49.61 C ATOM 767 CG LYS A 820 6.031 -10.989 1.305 1.00 52.69 C ATOM 768 CD LYS A 820 7.405 -10.608 1.806 1.00 56.85 C ATOM 769 CE LYS A 820 7.435 -9.189 2.334 1.00 58.98 C ATOM 770 NZ LYS A 820 8.688 -8.864 3.048 1.00 57.14 N ATOM 771 HZ1 LYS A 820 8.800 -9.506 3.859 1.00 0.00 H ATOM 772 HZ2 LYS A 820 9.494 -8.978 2.401 1.00 0.00 H ATOM 773 HZ3 LYS A 820 8.648 -7.881 3.385 1.00 0.00 H ATOM 774 H LYS A 820 5.363 -13.530 1.669 1.00 0.00 H ATOM 775 N HIS A 821 3.032 -12.824 4.004 1.00 49.49 N ATOM 776 CA HIS A 821 1.875 -12.946 4.867 1.00 46.16 C ATOM 777 C HIS A 821 1.927 -13.944 5.992 1.00 48.62 C ATOM 778 O HIS A 821 1.404 -13.708 7.054 1.00 50.53 O ATOM 779 CB HIS A 821 0.612 -13.199 4.062 1.00 44.78 C ATOM 780 CG HIS A 821 0.236 -12.069 3.176 1.00 48.97 C ATOM 781 ND1 HIS A 821 -0.726 -11.156 3.510 1.00 50.77 N ATOM 782 CD2 HIS A 821 0.684 -11.712 1.957 1.00 52.88 C ATOM 783 CE1 HIS A 821 -0.843 -10.273 2.542 1.00 58.96 C ATOM 784 NE2 HIS A 821 0.000 -10.590 1.584 1.00 52.20 N ATOM 785 H HIS A 821 2.964 -13.173 3.027 1.00 0.00 H ATOM 786 N THR A 822 2.501 -15.093 5.720 1.00 45.90 N ATOM 787 CA THR A 822 2.521 -16.147 6.704 1.00 40.92 C ATOM 788 C THR A 822 3.863 -16.748 7.091 1.00 37.15 C ATOM 789 O THR A 822 3.884 -17.757 7.719 1.00 39.51 O ATOM 790 CB THR A 822 1.527 -17.281 6.300 1.00 46.05 C ATOM 791 OG1 THR A 822 2.174 -18.262 5.520 1.00 49.10 O ATOM 792 CG2 THR A 822 0.369 -16.769 5.508 1.00 46.47 C ATOM 793 HG1 THR A 822 2.917 -18.659 6.041 1.00 0.00 H ATOM 794 H THR A 822 2.943 -15.244 4.791 1.00 0.00 H ATOM 795 N ASN A 823 4.958 -16.139 6.678 1.00 37.15 N ATOM 796 CA ASN A 823 6.305 -16.664 6.896 1.00 41.76 C ATOM 797 C ASN A 823 6.436 -18.076 6.302 1.00 43.36 C ATOM 798 O ASN A 823 7.095 -18.952 6.826 1.00 47.32 O ATOM 799 CB ASN A 823 6.818 -16.539 8.340 1.00 37.69 C ATOM 800 CG ASN A 823 8.322 -16.481 8.418 1.00 39.09 C ATOM 801 OD1 ASN A 823 8.948 -15.646 7.811 1.00 45.53 O ATOM 802 ND2 ASN A 823 8.903 -17.389 9.152 1.00 39.82 N ATOM 803 HD22 ASN A 823 8.329 -18.092 9.660 1.00 0.00 H ATOM 804 HD21 ASN A 823 9.940 -17.410 9.229 1.00 0.00 H ATOM 805 H ASN A 823 4.858 -15.237 6.170 1.00 0.00 H ATOM 806 N SER A 824 5.750 -18.252 5.194 1.00 43.59 N ATOM 807 CA SER A 824 5.712 -19.476 4.418 1.00 41.14 C ATOM 808 C SER A 824 5.134 -20.686 5.130 1.00 40.40 C ATOM 809 O SER A 824 5.469 -21.803 4.860 1.00 44.53 O ATOM 810 CB SER A 824 7.057 -19.760 3.741 1.00 39.41 C ATOM 811 OG SER A 824 7.486 -18.659 3.001 1.00 39.34 O ATOM 812 HG SER A 824 8.355 -18.868 2.575 1.00 0.00 H ATOM 813 H SER A 824 5.189 -17.448 4.846 1.00 0.00 H ATOM 814 N GLN A 825 4.290 -20.436 6.093 1.00 43.19 N ATOM 815 CA GLN A 825 3.598 -21.494 6.801 1.00 44.98 C ATOM 816 C GLN A 825 2.486 -22.162 6.020 1.00 43.05 C ATOM 817 O GLN A 825 2.294 -23.341 6.087 1.00 46.86 O ATOM 818 CB GLN A 825 3.112 -21.025 8.155 1.00 45.80 C ATOM 819 CG GLN A 825 4.227 -20.882 9.160 1.00 51.29 C ATOM 820 CD GLN A 825 5.269 -21.975 9.088 1.00 51.68 C ATOM 821 OE1 GLN A 825 6.362 -21.767 8.616 1.00 52.20 O ATOM 822 NE2 GLN A 825 4.939 -23.131 9.598 1.00 51.33 N ATOM 823 HE22 GLN A 825 3.988 -23.272 9.995 1.00 0.00 H ATOM 824 HE21 GLN A 825 5.627 -23.911 9.607 1.00 0.00 H ATOM 825 H GLN A 825 4.108 -19.448 6.361 1.00 0.00 H ATOM 826 N PHE A 826 1.764 -21.332 5.303 1.00 39.77 N ATOM 827 CA PHE A 826 0.621 -21.685 4.519 1.00 39.87 C ATOM 828 C PHE A 826 0.740 -21.184 3.107 1.00 43.71 C ATOM 829 O PHE A 826 1.568 -20.365 2.795 1.00 41.21 O ATOM 830 CB PHE A 826 -0.622 -21.012 5.085 1.00 38.61 C ATOM 831 CG PHE A 826 -0.804 -21.200 6.535 1.00 41.85 C ATOM 832 CD1 PHE A 826 -0.796 -22.462 7.074 1.00 49.37 C ATOM 833 CD2 PHE A 826 -1.020 -20.139 7.353 1.00 45.22 C ATOM 834 CE1 PHE A 826 -0.961 -22.657 8.418 1.00 49.25 C ATOM 835 CE2 PHE A 826 -1.203 -20.325 8.704 1.00 54.43 C ATOM 836 CZ PHE A 826 -1.177 -21.590 9.235 1.00 53.14 C ATOM 837 H PHE A 826 2.048 -20.331 5.305 1.00 0.00 H ATOM 838 N LEU A 827 -0.144 -21.681 2.259 1.00 44.02 N ATOM 839 CA LEU A 827 -0.186 -21.241 0.889 1.00 42.32 C ATOM 840 C LEU A 827 -1.240 -20.139 0.788 1.00 44.86 C ATOM 841 O LEU A 827 -2.427 -20.369 0.822 1.00 41.71 O ATOM 842 CB LEU A 827 -0.475 -22.402 -0.054 1.00 45.11 C ATOM 843 CG LEU A 827 0.696 -23.337 -0.344 1.00 41.96 C ATOM 844 CD1 LEU A 827 0.255 -24.553 -1.128 1.00 41.87 C ATOM 845 CD2 LEU A 827 1.840 -22.633 -1.019 1.00 39.91 C ATOM 846 H LEU A 827 -0.819 -22.401 2.587 1.00 0.00 H ATOM 847 N TYR A 828 -0.746 -18.931 0.681 1.00 42.64 N ATOM 848 CA TYR A 828 -1.553 -17.751 0.597 1.00 42.97 C ATOM 849 C TYR A 828 -1.935 -17.374 -0.832 1.00 44.18 C ATOM 850 O TYR A 828 -1.303 -16.546 -1.457 1.00 43.80 O ATOM 851 CB TYR A 828 -0.831 -16.617 1.322 1.00 42.89 C ATOM 852 CG TYR A 828 -1.649 -15.398 1.616 1.00 42.66 C ATOM 853 CD1 TYR A 828 -1.767 -14.393 0.684 1.00 41.39 C ATOM 854 CD2 TYR A 828 -2.287 -15.243 2.826 1.00 47.90 C ATOM 855 CE1 TYR A 828 -2.508 -13.276 0.929 1.00 49.41 C ATOM 856 CE2 TYR A 828 -3.033 -14.110 3.096 1.00 50.75 C ATOM 857 CZ TYR A 828 -3.139 -13.127 2.136 1.00 52.89 C ATOM 858 OH TYR A 828 -3.840 -11.988 2.364 1.00 52.67 O ATOM 859 HH TYR A 828 -3.799 -11.410 1.561 1.00 0.00 H ATOM 860 H TYR A 828 0.288 -18.823 0.656 1.00 0.00 H ATOM 861 N PHE A 829 -2.943 -18.053 -1.345 1.00 41.33 N ATOM 862 CA PHE A 829 -3.479 -17.809 -2.657 1.00 44.76 C ATOM 863 C PHE A 829 -4.176 -16.462 -2.734 1.00 45.75 C ATOM 864 O PHE A 829 -4.002 -15.708 -3.659 1.00 51.91 O ATOM 865 CB PHE A 829 -4.482 -18.917 -3.014 1.00 41.99 C ATOM 866 CG PHE A 829 -3.849 -20.231 -3.351 1.00 44.10 C ATOM 867 CD1 PHE A 829 -3.311 -20.469 -4.613 1.00 42.71 C ATOM 868 CD2 PHE A 829 -3.796 -21.236 -2.408 1.00 40.72 C ATOM 869 CE1 PHE A 829 -2.733 -21.686 -4.899 1.00 44.12 C ATOM 870 CE2 PHE A 829 -3.216 -22.441 -2.684 1.00 37.95 C ATOM 871 CZ PHE A 829 -2.695 -22.674 -3.931 1.00 40.36 C ATOM 872 H PHE A 829 -3.373 -18.805 -0.770 1.00 0.00 H ATOM 873 N ALA A 830 -5.001 -16.196 -1.739 1.00 44.40 N ATOM 874 CA ALA A 830 -5.740 -14.977 -1.643 1.00 41.17 C ATOM 875 C ALA A 830 -6.087 -14.683 -0.196 1.00 44.06 C ATOM 876 O ALA A 830 -6.061 -15.561 0.629 1.00 47.32 O ATOM 877 CB ALA A 830 -6.990 -15.069 -2.482 1.00 38.67 C ATOM 878 H ALA A 830 -5.119 -16.907 -0.989 1.00 0.00 H ATOM 879 N PRO A 831 -6.482 -13.465 0.105 1.00 47.66 N ATOM 880 CA PRO A 831 -6.861 -13.132 1.471 1.00 46.52 C ATOM 881 C PRO A 831 -8.003 -14.027 1.928 1.00 48.74 C ATOM 882 O PRO A 831 -8.109 -14.251 3.114 1.00 49.32 O ATOM 883 CB PRO A 831 -7.304 -11.687 1.348 1.00 44.96 C ATOM 884 CG PRO A 831 -6.479 -11.152 0.258 1.00 46.72 C ATOM 885 CD PRO A 831 -5.949 -12.285 -0.578 1.00 47.39 C ATOM 886 N ASP A 832 -8.814 -14.501 0.987 1.00 47.06 N ATOM 887 CA ASP A 832 -9.947 -15.365 1.241 1.00 48.10 C ATOM 888 C ASP A 832 -9.744 -16.841 0.880 1.00 51.90 C ATOM 889 O ASP A 832 -10.683 -17.604 0.878 1.00 55.64 O ATOM 890 CB ASP A 832 -11.216 -14.797 0.577 1.00 51.48 C ATOM 891 CG ASP A 832 -11.164 -14.799 -0.958 1.00 54.22 C ATOM 892 OD1 ASP A 832 -10.069 -14.799 -1.523 1.00 51.31 O ATOM 893 OD2 ASP A 832 -12.223 -14.784 -1.593 1.00 46.08 O ATOM 894 H ASP A 832 -8.621 -14.233 0.001 1.00 0.00 H ATOM 895 N LEU A 833 -8.531 -17.224 0.527 1.00 49.84 N ATOM 896 CA LEU A 833 -8.239 -18.597 0.154 1.00 48.84 C ATOM 897 C LEU A 833 -6.854 -19.009 0.644 1.00 48.92 C ATOM 898 O LEU A 833 -5.912 -18.998 -0.098 1.00 49.59 O ATOM 899 CB LEU A 833 -8.420 -18.817 -1.361 1.00 45.77 C ATOM 900 CG LEU A 833 -8.366 -20.241 -1.911 1.00 46.18 C ATOM 901 CD1 LEU A 833 -9.500 -21.097 -1.428 1.00 45.20 C ATOM 902 CD2 LEU A 833 -8.242 -20.281 -3.414 1.00 42.10 C ATOM 903 H LEU A 833 -7.763 -16.523 0.516 1.00 0.00 H ATOM 904 N VAL A 834 -6.734 -19.380 1.901 1.00 48.81 N ATOM 905 CA VAL A 834 -5.441 -19.758 2.416 1.00 44.34 C ATOM 906 C VAL A 834 -5.417 -21.219 2.790 1.00 50.98 C ATOM 907 O VAL A 834 -6.213 -21.678 3.564 1.00 56.19 O ATOM 908 CB VAL A 834 -5.030 -18.874 3.595 1.00 44.96 C ATOM 909 CG1 VAL A 834 -3.590 -19.105 3.963 1.00 41.93 C ATOM 910 CG2 VAL A 834 -5.275 -17.416 3.284 1.00 43.86 C ATOM 911 H VAL A 834 -7.569 -19.401 2.521 1.00 0.00 H ATOM 912 N PHE A 835 -4.487 -21.953 2.221 1.00 44.60 N ATOM 913 CA PHE A 835 -4.402 -23.362 2.485 1.00 43.13 C ATOM 914 C PHE A 835 -3.551 -23.798 3.645 1.00 50.40 C ATOM 915 O PHE A 835 -2.542 -23.208 3.954 1.00 49.09 O ATOM 916 CB PHE A 835 -3.889 -24.100 1.265 1.00 42.33 C ATOM 917 CG PHE A 835 -4.906 -24.303 0.213 1.00 41.25 C ATOM 918 CD1 PHE A 835 -5.971 -23.449 0.101 1.00 38.70 C ATOM 919 CD2 PHE A 835 -4.760 -25.304 -0.700 1.00 40.22 C ATOM 920 CE1 PHE A 835 -6.894 -23.621 -0.878 1.00 38.23 C ATOM 921 CE2 PHE A 835 -5.681 -25.474 -1.694 1.00 41.93 C ATOM 922 CZ PHE A 835 -6.753 -24.636 -1.780 1.00 39.20 C ATOM 923 H PHE A 835 -3.806 -21.509 1.573 1.00 0.00 H ATOM 924 N ASN A 836 -3.989 -24.881 4.250 1.00 50.81 N ATOM 925 CA ASN A 836 -3.275 -25.532 5.306 1.00 51.26 C ATOM 926 C ASN A 836 -3.203 -26.949 4.800 1.00 55.78 C ATOM 927 O ASN A 836 -3.644 -27.227 3.698 1.00 57.33 O ATOM 928 CB ASN A 836 -3.938 -25.422 6.670 1.00 49.18 C ATOM 929 CG ASN A 836 -5.396 -25.771 6.658 1.00 49.99 C ATOM 930 OD1 ASN A 836 -5.860 -26.561 5.866 1.00 53.50 O ATOM 931 ND2 ASN A 836 -6.124 -25.170 7.558 1.00 49.45 N ATOM 932 HD22 ASN A 836 -5.684 -24.498 8.219 1.00 0.00 H ATOM 933 HD21 ASN A 836 -7.144 -25.363 7.615 1.00 0.00 H ATOM 934 H ASN A 836 -4.898 -25.284 3.946 1.00 0.00 H ATOM 935 N GLU A 837 -2.615 -27.843 5.574 1.00 55.04 N ATOM 936 CA GLU A 837 -2.516 -29.227 5.144 1.00 61.44 C ATOM 937 C GLU A 837 -3.872 -29.891 4.858 1.00 57.51 C ATOM 938 O GLU A 837 -3.974 -30.708 3.979 1.00 56.53 O ATOM 939 CB GLU A 837 -1.630 -30.034 6.095 1.00 67.86 C ATOM 940 CG GLU A 837 -0.170 -30.023 5.674 1.00 85.20 C ATOM 941 CD GLU A 837 0.800 -30.412 6.770 1.00 91.01 C ATOM 942 OE1 GLU A 837 0.761 -31.586 7.183 1.00 90.23 O ATOM 943 OE2 GLU A 837 1.619 -29.568 7.206 1.00 92.74 O ATOM 944 H GLU A 837 -2.222 -27.556 6.493 1.00 0.00 H ATOM 945 N GLU A 838 -4.919 -29.494 5.566 1.00 61.09 N ATOM 946 CA GLU A 838 -6.250 -30.016 5.280 1.00 65.72 C ATOM 947 C GLU A 838 -6.751 -29.600 3.901 1.00 65.30 C ATOM 948 O GLU A 838 -7.294 -30.408 3.175 1.00 63.04 O ATOM 949 CB GLU A 838 -7.250 -29.514 6.322 1.00 72.28 C ATOM 950 CG GLU A 838 -6.949 -29.941 7.739 1.00 89.90 C ATOM 951 CD GLU A 838 -6.227 -28.893 8.557 1.00 95.77 C ATOM 952 OE1 GLU A 838 -6.897 -28.253 9.398 1.00 90.59 O ATOM 953 OE2 GLU A 838 -4.998 -28.733 8.372 1.00 89.09 O ATOM 954 H GLU A 838 -4.790 -28.804 6.333 1.00 0.00 H ATOM 955 N LYS A 839 -6.571 -28.326 3.568 1.00 60.71 N ATOM 956 CA LYS A 839 -6.960 -27.769 2.277 1.00 57.15 C ATOM 957 C LYS A 839 -6.188 -28.389 1.108 1.00 53.00 C ATOM 958 O LYS A 839 -6.744 -28.676 0.072 1.00 50.38 O ATOM 959 CB LYS A 839 -6.806 -26.258 2.285 1.00 51.76 C ATOM 960 CG LYS A 839 -7.896 -25.552 3.027 1.00 48.55 C ATOM 961 CD LYS A 839 -9.082 -25.309 2.140 1.00 50.53 C ATOM 962 CE LYS A 839 -10.369 -25.402 2.929 1.00 55.45 C ATOM 963 NZ LYS A 839 -10.386 -24.530 4.117 1.00 52.98 N ATOM 964 HZ1 LYS A 839 -9.607 -24.797 4.753 1.00 0.00 H ATOM 965 HZ2 LYS A 839 -10.269 -23.540 3.821 1.00 0.00 H ATOM 966 HZ3 LYS A 839 -11.293 -24.640 4.613 1.00 0.00 H ATOM 967 H LYS A 839 -6.129 -27.693 4.265 1.00 0.00 H ATOM 968 N MET A 840 -4.904 -28.616 1.304 1.00 44.73 N ATOM 969 CA MET A 840 -4.104 -29.214 0.280 1.00 43.34 C ATOM 970 C MET A 840 -4.670 -30.597 -0.040 1.00 47.09 C ATOM 971 O MET A 840 -4.730 -30.991 -1.190 1.00 43.95 O ATOM 972 CB MET A 840 -2.668 -29.298 0.745 1.00 42.91 C ATOM 973 CG MET A 840 -2.049 -27.951 1.008 1.00 46.69 C ATOM 974 SD MET A 840 -0.404 -27.959 1.711 1.00 46.79 S ATOM 975 CE MET A 840 0.143 -29.597 1.358 1.00 51.12 C ATOM 976 H MET A 840 -4.468 -28.358 2.212 1.00 0.00 H ATOM 977 N HIS A 841 -5.068 -31.314 1.000 1.00 49.41 N ATOM 978 CA HIS A 841 -5.679 -32.613 0.852 1.00 51.92 C ATOM 979 C HIS A 841 -7.048 -32.604 0.179 1.00 50.50 C ATOM 980 O HIS A 841 -7.288 -33.376 -0.712 1.00 54.70 O ATOM 981 CB HIS A 841 -5.713 -33.351 2.191 1.00 45.26 C ATOM 982 CG HIS A 841 -4.448 -34.075 2.490 1.00 46.53 C ATOM 983 ND1 HIS A 841 -3.745 -33.901 3.656 1.00 51.30 N ATOM 984 CD2 HIS A 841 -3.733 -34.950 1.751 1.00 48.51 C ATOM 985 CE1 HIS A 841 -2.660 -34.648 3.629 1.00 50.81 C ATOM 986 NE2 HIS A 841 -2.627 -35.290 2.483 1.00 47.65 N ATOM 987 H HIS A 841 -4.936 -30.928 1.956 1.00 0.00 H ATOM 988 N GLN A 842 -7.932 -31.723 0.601 1.00 55.77 N ATOM 989 CA GLN A 842 -9.249 -31.625 -0.011 1.00 58.49 C ATOM 990 C GLN A 842 -9.136 -31.191 -1.464 1.00 61.61 C ATOM 991 O GLN A 842 -9.960 -31.563 -2.301 1.00 60.99 O ATOM 992 CB GLN A 842 -10.256 -30.791 0.785 1.00 60.33 C ATOM 993 CG GLN A 842 -9.735 -29.615 1.578 1.00 65.93 C ATOM 994 CD GLN A 842 -10.476 -29.465 2.883 1.00 68.15 C ATOM 995 OE1 GLN A 842 -10.914 -30.442 3.457 1.00 70.60 O ATOM 996 NE2 GLN A 842 -10.607 -28.250 3.357 1.00 64.13 N ATOM 997 HE22 GLN A 842 -10.216 -27.442 2.832 1.00 0.00 H ATOM 998 HE21 GLN A 842 -11.102 -28.094 4.258 1.00 0.00 H ATOM 999 H GLN A 842 -7.684 -31.086 1.385 1.00 0.00 H ATOM 1000 N SER A 843 -8.085 -30.425 -1.741 1.00 60.15 N ATOM 1001 CA SER A 843 -7.771 -29.939 -3.075 1.00 60.10 C ATOM 1002 C SER A 843 -7.434 -31.065 -4.063 1.00 58.91 C ATOM 1003 O SER A 843 -7.676 -30.938 -5.247 1.00 54.08 O ATOM 1004 CB SER A 843 -6.718 -28.817 -3.050 1.00 57.12 C ATOM 1005 OG SER A 843 -5.439 -29.262 -3.387 1.00 58.53 O ATOM 1006 HG SER A 843 -5.153 -29.958 -2.744 1.00 0.00 H ATOM 1007 H SER A 843 -7.452 -30.159 -0.960 1.00 0.00 H ATOM 1008 N ALA A 844 -6.918 -32.174 -3.552 1.00 53.51 N ATOM 1009 CA ALA A 844 -6.563 -33.310 -4.379 1.00 53.70 C ATOM 1010 C ALA A 844 -5.258 -33.068 -5.092 1.00 56.32 C ATOM 1011 O ALA A 844 -4.928 -33.721 -6.051 1.00 55.37 O ATOM 1012 CB ALA A 844 -7.660 -33.587 -5.380 1.00 49.23 C ATOM 1013 H ALA A 844 -6.763 -32.231 -2.525 1.00 0.00 H ATOM 1014 N MET A 845 -4.529 -32.090 -4.608 1.00 62.02 N ATOM 1015 CA MET A 845 -3.267 -31.681 -5.173 1.00 59.12 C ATOM 1016 C MET A 845 -2.294 -31.578 -4.022 1.00 57.76 C ATOM 1017 O MET A 845 -1.486 -30.697 -3.993 1.00 62.49 O ATOM 1018 CB MET A 845 -3.451 -30.309 -5.791 1.00 54.48 C ATOM 1019 CG MET A 845 -3.626 -30.271 -7.290 1.00 58.45 C ATOM 1020 SD MET A 845 -3.612 -28.601 -7.931 1.00 56.58 S ATOM 1021 CE MET A 845 -4.401 -27.747 -6.596 1.00 47.26 C ATOM 1022 H MET A 845 -4.881 -31.582 -3.771 1.00 0.00 H ATOM 1023 N TYR A 846 -2.381 -32.484 -3.068 1.00 51.72 N ATOM 1024 CA TYR A 846 -1.563 -32.368 -1.872 1.00 52.14 C ATOM 1025 C TYR A 846 -0.065 -32.341 -2.050 1.00 48.25 C ATOM 1026 O TYR A 846 0.586 -31.530 -1.451 1.00 49.61 O ATOM 1027 CB TYR A 846 -1.935 -33.457 -0.847 1.00 48.90 C ATOM 1028 CG TYR A 846 -1.071 -33.422 0.382 1.00 49.53 C ATOM 1029 CD1 TYR A 846 -1.342 -32.543 1.409 1.00 48.72 C ATOM 1030 CD2 TYR A 846 0.056 -34.221 0.480 1.00 46.49 C ATOM 1031 CE1 TYR A 846 -0.544 -32.489 2.512 1.00 49.71 C ATOM 1032 CE2 TYR A 846 0.864 -34.166 1.578 1.00 46.40 C ATOM 1033 CZ TYR A 846 0.551 -33.309 2.596 1.00 53.29 C ATOM 1034 OH TYR A 846 1.349 -33.238 3.702 1.00 59.96 O ATOM 1035 HH TYR A 846 0.977 -32.572 4.333 1.00 0.00 H ATOM 1036 H TYR A 846 -3.037 -33.284 -3.172 1.00 0.00 H ATOM 1037 N GLU A 847 0.469 -33.241 -2.837 1.00 44.79 N ATOM 1038 CA GLU A 847 1.887 -33.293 -3.107 1.00 45.68 C ATOM 1039 C GLU A 847 2.461 -32.093 -3.897 1.00 47.00 C ATOM 1040 O GLU A 847 3.546 -31.628 -3.597 1.00 49.07 O ATOM 1041 CB GLU A 847 2.224 -34.635 -3.745 1.00 51.88 C ATOM 1042 CG GLU A 847 3.405 -35.352 -3.125 1.00 70.68 C ATOM 1043 CD GLU A 847 3.284 -35.571 -1.625 1.00 76.13 C ATOM 1044 OE1 GLU A 847 4.074 -34.971 -0.874 1.00 70.39 O ATOM 1045 OE2 GLU A 847 2.424 -36.364 -1.202 1.00 77.02 O ATOM 1046 H GLU A 847 -0.152 -33.945 -3.285 1.00 0.00 H ATOM 1047 N LEU A 848 1.718 -31.620 -4.898 1.00 41.66 N ATOM 1048 CA LEU A 848 2.071 -30.481 -5.734 1.00 35.47 C ATOM 1049 C LEU A 848 2.123 -29.223 -4.877 1.00 38.24 C ATOM 1050 O LEU A 848 2.970 -28.396 -5.044 1.00 33.52 O ATOM 1051 CB LEU A 848 1.072 -30.325 -6.870 1.00 33.04 C ATOM 1052 CG LEU A 848 1.212 -31.236 -8.080 1.00 34.68 C ATOM 1053 CD1 LEU A 848 -0.011 -31.236 -8.976 1.00 33.54 C ATOM 1054 CD2 LEU A 848 2.456 -30.931 -8.871 1.00 32.31 C ATOM 1055 H LEU A 848 0.818 -32.101 -5.097 1.00 0.00 H ATOM 1056 N CYS A 849 1.167 -29.125 -3.963 1.00 38.21 N ATOM 1057 CA CYS A 849 1.035 -28.052 -2.995 1.00 40.91 C ATOM 1058 C CYS A 849 2.233 -28.055 -2.024 1.00 44.42 C ATOM 1059 O CYS A 849 2.693 -27.012 -1.617 1.00 44.26 O ATOM 1060 CB CYS A 849 -0.290 -28.163 -2.223 1.00 40.90 C ATOM 1061 SG CYS A 849 -1.791 -27.454 -2.926 1.00 49.89 S ATOM 1062 H CYS A 849 0.452 -29.880 -3.938 1.00 0.00 H ATOM 1063 N GLN A 850 2.696 -29.245 -1.652 1.00 41.77 N ATOM 1064 CA GLN A 850 3.825 -29.417 -0.757 1.00 43.45 C ATOM 1065 C GLN A 850 5.115 -28.943 -1.376 1.00 49.28 C ATOM 1066 O GLN A 850 5.919 -28.306 -0.737 1.00 43.84 O ATOM 1067 CB GLN A 850 3.951 -30.855 -0.289 1.00 44.63 C ATOM 1068 CG GLN A 850 3.255 -31.119 1.026 1.00 55.71 C ATOM 1069 CD GLN A 850 3.824 -30.308 2.166 1.00 60.45 C ATOM 1070 OE1 GLN A 850 4.996 -30.428 2.508 1.00 73.50 O ATOM 1071 NE2 GLN A 850 3.007 -29.476 2.745 1.00 60.61 N ATOM 1072 HE22 GLN A 850 2.021 -29.407 2.423 1.00 0.00 H ATOM 1073 HE21 GLN A 850 3.341 -28.881 3.530 1.00 0.00 H ATOM 1074 H GLN A 850 2.225 -30.095 -2.021 1.00 0.00 H ATOM 1075 N GLY A 851 5.274 -29.272 -2.650 1.00 50.35 N ATOM 1076 CA GLY A 851 6.427 -28.874 -3.403 1.00 49.15 C ATOM 1077 C GLY A 851 6.471 -27.373 -3.481 1.00 48.57 C ATOM 1078 O GLY A 851 7.522 -26.787 -3.328 1.00 45.93 O ATOM 1079 H GLY A 851 4.538 -29.838 -3.119 1.00 0.00 H ATOM 1080 N MET A 852 5.305 -26.778 -3.713 1.00 47.50 N ATOM 1081 CA MET A 852 5.137 -25.343 -3.790 1.00 43.74 C ATOM 1082 C MET A 852 5.473 -24.671 -2.471 1.00 41.04 C ATOM 1083 O MET A 852 6.085 -23.650 -2.448 1.00 36.54 O ATOM 1084 CB MET A 852 3.712 -24.978 -4.182 1.00 42.49 C ATOM 1085 CG MET A 852 3.504 -23.494 -4.323 1.00 41.93 C ATOM 1086 SD MET A 852 4.110 -22.885 -5.897 1.00 52.50 S ATOM 1087 CE MET A 852 5.831 -22.571 -5.708 1.00 45.93 C ATOM 1088 H MET A 852 4.466 -27.378 -3.847 1.00 0.00 H ATOM 1089 N HIS A 853 5.037 -25.277 -1.385 1.00 41.17 N ATOM 1090 CA HIS A 853 5.290 -24.790 -0.046 1.00 44.73 C ATOM 1091 C HIS A 853 6.793 -24.812 0.288 1.00 44.94 C ATOM 1092 O HIS A 853 7.295 -23.941 0.954 1.00 45.80 O ATOM 1093 CB HIS A 853 4.423 -25.561 0.942 1.00 45.40 C ATOM 1094 CG HIS A 853 4.788 -25.352 2.370 1.00 53.02 C ATOM 1095 ND1 HIS A 853 5.481 -26.286 3.103 1.00 60.76 N ATOM 1096 CD2 HIS A 853 4.525 -24.333 3.214 1.00 52.42 C ATOM 1097 CE1 HIS A 853 5.646 -25.840 4.329 1.00 58.17 C ATOM 1098 NE2 HIS A 853 5.089 -24.652 4.416 1.00 58.00 N ATOM 1099 H HIS A 853 4.483 -26.150 -1.496 1.00 0.00 H ATOM 1100 N GLN A 854 7.470 -25.838 -0.207 1.00 43.25 N ATOM 1101 CA GLN A 854 8.893 -26.067 -0.076 1.00 43.55 C ATOM 1102 C GLN A 854 9.713 -24.986 -0.757 1.00 44.97 C ATOM 1103 O GLN A 854 10.700 -24.545 -0.220 1.00 41.54 O ATOM 1104 CB GLN A 854 9.257 -27.416 -0.686 1.00 50.19 C ATOM 1105 CG GLN A 854 9.183 -28.604 0.251 1.00 49.68 C ATOM 1106 CD GLN A 854 9.708 -28.310 1.637 1.00 49.49 C ATOM 1107 OE1 GLN A 854 9.121 -28.722 2.613 1.00 56.44 O ATOM 1108 NE2 GLN A 854 10.815 -27.615 1.721 1.00 50.06 N ATOM 1109 HE22 GLN A 854 11.286 -27.281 0.856 1.00 0.00 H ATOM 1110 HE21 GLN A 854 11.223 -27.397 2.653 1.00 0.00 H ATOM 1111 H GLN A 854 6.927 -26.546 -0.741 1.00 0.00 H ATOM 1112 N ILE A 855 9.265 -24.559 -1.934 1.00 45.18 N ATOM 1113 CA ILE A 855 9.861 -23.487 -2.696 1.00 42.78 C ATOM 1114 C ILE A 855 9.702 -22.223 -1.871 1.00 42.91 C ATOM 1115 O ILE A 855 10.578 -21.370 -1.798 1.00 40.19 O ATOM 1116 CB ILE A 855 9.160 -23.331 -4.067 1.00 42.71 C ATOM 1117 CG1 ILE A 855 9.533 -24.486 -4.982 1.00 41.10 C ATOM 1118 CG2 ILE A 855 9.392 -21.965 -4.707 1.00 36.45 C ATOM 1119 CD1 ILE A 855 10.727 -24.242 -5.852 1.00 44.35 C ATOM 1120 H ILE A 855 8.428 -25.030 -2.333 1.00 0.00 H ATOM 1121 N SER A 856 8.551 -22.136 -1.247 1.00 41.39 N ATOM 1122 CA SER A 856 8.176 -21.042 -0.381 1.00 45.31 C ATOM 1123 C SER A 856 9.101 -20.931 0.838 1.00 45.96 C ATOM 1124 O SER A 856 9.467 -19.853 1.247 1.00 43.94 O ATOM 1125 CB SER A 856 6.766 -21.314 0.107 1.00 44.39 C ATOM 1126 OG SER A 856 5.990 -20.176 0.072 1.00 62.21 O ATOM 1127 HG SER A 856 5.079 -20.389 0.396 1.00 0.00 H ATOM 1128 H SER A 856 7.864 -22.905 -1.385 1.00 0.00 H ATOM 1129 N LEU A 857 9.442 -22.076 1.409 1.00 45.58 N ATOM 1130 CA LEU A 857 10.310 -22.210 2.562 1.00 40.73 C ATOM 1131 C LEU A 857 11.708 -21.754 2.238 1.00 39.19 C ATOM 1132 O LEU A 857 12.428 -21.294 3.072 1.00 40.97 O ATOM 1133 CB LEU A 857 10.260 -23.614 3.133 1.00 44.69 C ATOM 1134 CG LEU A 857 8.982 -23.880 3.910 1.00 50.61 C ATOM 1135 CD1 LEU A 857 8.767 -25.349 4.115 1.00 45.81 C ATOM 1136 CD2 LEU A 857 8.926 -23.124 5.225 1.00 50.28 C ATOM 1137 H LEU A 857 9.056 -22.949 0.997 1.00 0.00 H ATOM 1138 N GLN A 858 12.056 -21.899 0.983 1.00 42.09 N ATOM 1139 CA GLN A 858 13.318 -21.484 0.437 1.00 43.74 C ATOM 1140 C GLN A 858 13.484 -19.991 0.535 1.00 43.41 C ATOM 1141 O GLN A 858 14.560 -19.516 0.771 1.00 46.17 O ATOM 1142 CB GLN A 858 13.428 -21.933 -0.983 1.00 49.63 C ATOM 1143 CG GLN A 858 13.979 -23.312 -1.085 1.00 56.84 C ATOM 1144 CD GLN A 858 15.351 -23.287 -1.669 1.00 73.95 C ATOM 1145 OE1 GLN A 858 16.359 -23.142 -0.962 1.00 75.71 O ATOM 1146 NE2 GLN A 858 15.407 -23.404 -2.973 1.00 76.01 N ATOM 1147 HE22 GLN A 858 14.532 -23.524 -3.522 1.00 0.00 H ATOM 1148 HE21 GLN A 858 16.326 -23.377 -3.459 1.00 0.00 H ATOM 1149 H GLN A 858 11.372 -22.345 0.339 1.00 0.00 H ATOM 1150 N PHE A 859 12.388 -19.269 0.361 1.00 43.81 N ATOM 1151 CA PHE A 859 12.362 -17.820 0.428 1.00 43.97 C ATOM 1152 C PHE A 859 12.785 -17.356 1.806 1.00 40.85 C ATOM 1153 O PHE A 859 13.493 -16.382 1.913 1.00 40.19 O ATOM 1154 CB PHE A 859 10.974 -17.263 0.138 1.00 40.52 C ATOM 1155 CG PHE A 859 10.620 -17.188 -1.307 1.00 40.74 C ATOM 1156 CD1 PHE A 859 11.238 -17.996 -2.239 1.00 39.44 C ATOM 1157 CD2 PHE A 859 9.609 -16.340 -1.726 1.00 37.73 C ATOM 1158 CE1 PHE A 859 10.872 -17.946 -3.560 1.00 38.60 C ATOM 1159 CE2 PHE A 859 9.250 -16.275 -3.041 1.00 41.05 C ATOM 1160 CZ PHE A 859 9.873 -17.086 -3.960 1.00 40.48 C ATOM 1161 H PHE A 859 11.497 -19.768 0.166 1.00 0.00 H ATOM 1162 N VAL A 860 12.305 -18.041 2.835 1.00 38.30 N ATOM 1163 CA VAL A 860 12.661 -17.759 4.214 1.00 44.58 C ATOM 1164 C VAL A 860 14.132 -18.084 4.514 1.00 44.37 C ATOM 1165 O VAL A 860 14.821 -17.324 5.127 1.00 46.21 O ATOM 1166 CB VAL A 860 11.742 -18.526 5.206 1.00 45.97 C ATOM 1167 CG1 VAL A 860 12.248 -18.443 6.624 1.00 41.81 C ATOM 1168 CG2 VAL A 860 10.306 -18.070 5.105 1.00 46.07 C ATOM 1169 H VAL A 860 11.641 -18.818 2.645 1.00 0.00 H ATOM 1170 N ARG A 861 14.597 -19.228 4.051 1.00 45.05 N ATOM 1171 CA ARG A 861 15.960 -19.631 4.265 1.00 46.98 C ATOM 1172 C ARG A 861 16.917 -18.622 3.610 1.00 50.19 C ATOM 1173 O ARG A 861 17.941 -18.273 4.166 1.00 46.80 O ATOM 1174 CB ARG A 861 16.144 -21.040 3.732 1.00 57.02 C ATOM 1175 CG ARG A 861 17.555 -21.562 3.778 1.00 69.50 C ATOM 1176 CD ARG A 861 17.649 -22.939 3.170 1.00 76.67 C ATOM 1177 NE ARG A 861 18.141 -22.912 1.800 1.00 82.14 N ATOM 1178 CZ ARG A 861 19.412 -22.765 1.452 1.00 81.34 C ATOM 1179 NH1 ARG A 861 20.347 -22.638 2.381 1.00 70.90 N ATOM 1180 NH2 ARG A 861 19.739 -22.763 0.164 1.00 76.20 N ATOM 1181 HE ARG A 861 17.443 -23.016 1.036 1.00 0.00 H ATOM 1182 HH12 ARG A 861 21.343 -22.523 2.104 1.00 0.00 H ATOM 1183 HH11 ARG A 861 20.086 -22.653 3.387 1.00 0.00 H ATOM 1184 HH22 ARG A 861 20.733 -22.648 -0.120 1.00 0.00 H ATOM 1185 HH21 ARG A 861 19.001 -22.876 -0.560 1.00 0.00 H ATOM 1186 H ARG A 861 13.961 -19.855 3.517 1.00 0.00 H ATOM 1187 N LEU A 862 16.571 -18.199 2.405 1.00 46.42 N ATOM 1188 CA LEU A 862 17.280 -17.185 1.645 1.00 42.90 C ATOM 1189 C LEU A 862 17.105 -15.778 2.143 1.00 39.69 C ATOM 1190 O LEU A 862 17.984 -14.976 2.010 1.00 40.53 O ATOM 1191 CB LEU A 862 16.905 -17.247 0.169 1.00 43.50 C ATOM 1192 CG LEU A 862 17.338 -18.561 -0.452 1.00 44.75 C ATOM 1193 CD1 LEU A 862 16.728 -18.798 -1.818 1.00 38.09 C ATOM 1194 CD2 LEU A 862 18.845 -18.735 -0.387 1.00 38.40 C ATOM 1195 H LEU A 862 15.728 -18.625 1.969 1.00 0.00 H ATOM 1196 N GLN A 863 15.951 -15.508 2.731 1.00 38.81 N ATOM 1197 CA GLN A 863 15.556 -14.180 3.138 1.00 38.87 C ATOM 1198 C GLN A 863 15.521 -13.318 1.887 1.00 40.81 C ATOM 1199 O GLN A 863 16.138 -12.280 1.800 1.00 43.59 O ATOM 1200 CB GLN A 863 16.455 -13.599 4.218 1.00 37.34 C ATOM 1201 CG GLN A 863 16.233 -14.222 5.582 1.00 43.46 C ATOM 1202 CD GLN A 863 14.920 -13.840 6.240 1.00 40.42 C ATOM 1203 OE1 GLN A 863 14.675 -12.693 6.515 1.00 44.61 O ATOM 1204 NE2 GLN A 863 14.103 -14.806 6.507 1.00 34.33 N ATOM 1205 HE22 GLN A 863 14.352 -15.783 6.253 1.00 0.00 H ATOM 1206 HE21 GLN A 863 13.197 -14.606 6.976 1.00 0.00 H ATOM 1207 H GLN A 863 15.294 -16.294 2.910 1.00 0.00 H ATOM 1208 N LEU A 864 14.743 -13.776 0.921 1.00 38.25 N ATOM 1209 CA LEU A 864 14.633 -13.122 -0.353 1.00 35.95 C ATOM 1210 C LEU A 864 14.123 -11.679 -0.308 1.00 36.86 C ATOM 1211 O LEU A 864 13.078 -11.373 0.192 1.00 40.15 O ATOM 1212 CB LEU A 864 13.746 -13.986 -1.255 1.00 36.42 C ATOM 1213 CG LEU A 864 13.604 -13.691 -2.746 1.00 35.34 C ATOM 1214 CD1 LEU A 864 14.830 -14.163 -3.473 1.00 40.61 C ATOM 1215 CD2 LEU A 864 12.361 -14.308 -3.333 1.00 33.50 C ATOM 1216 H LEU A 864 14.191 -14.641 1.090 1.00 0.00 H ATOM 1217 N THR A 865 14.927 -10.794 -0.858 1.00 36.91 N ATOM 1218 CA THR A 865 14.592 -9.399 -0.908 1.00 38.05 C ATOM 1219 C THR A 865 13.550 -9.117 -1.977 1.00 43.75 C ATOM 1220 O THR A 865 13.411 -9.851 -2.925 1.00 42.21 O ATOM 1221 CB THR A 865 15.849 -8.503 -1.041 1.00 40.41 C ATOM 1222 OG1 THR A 865 16.298 -8.452 -2.386 1.00 46.02 O ATOM 1223 CG2 THR A 865 16.951 -9.042 -0.202 1.00 39.43 C ATOM 1224 HG1 THR A 865 17.100 -7.875 -2.443 1.00 0.00 H ATOM 1225 H THR A 865 15.828 -11.114 -1.267 1.00 0.00 H ATOM 1226 N PHE A 866 12.827 -8.032 -1.804 1.00 43.20 N ATOM 1227 CA PHE A 866 11.844 -7.649 -2.766 1.00 43.43 C ATOM 1228 C PHE A 866 12.529 -7.378 -4.106 1.00 43.61 C ATOM 1229 O PHE A 866 11.966 -7.680 -5.130 1.00 43.69 O ATOM 1230 CB PHE A 866 11.020 -6.449 -2.313 1.00 47.54 C ATOM 1231 CG PHE A 866 9.878 -6.141 -3.222 1.00 45.70 C ATOM 1232 CD1 PHE A 866 8.828 -7.016 -3.333 1.00 41.00 C ATOM 1233 CD2 PHE A 866 9.878 -5.002 -3.999 1.00 46.58 C ATOM 1234 CE1 PHE A 866 7.787 -6.760 -4.178 1.00 43.23 C ATOM 1235 CE2 PHE A 866 8.833 -4.744 -4.852 1.00 47.17 C ATOM 1236 CZ PHE A 866 7.781 -5.622 -4.939 1.00 39.64 C ATOM 1237 H PHE A 866 12.973 -7.446 -0.957 1.00 0.00 H ATOM 1238 N GLU A 867 13.741 -6.824 -4.062 1.00 41.25 N ATOM 1239 CA GLU A 867 14.562 -6.518 -5.237 1.00 41.26 C ATOM 1240 C GLU A 867 14.933 -7.784 -6.022 1.00 39.93 C ATOM 1241 O GLU A 867 14.933 -7.790 -7.223 1.00 41.69 O ATOM 1242 CB GLU A 867 15.860 -5.803 -4.851 1.00 44.28 C ATOM 1243 CG GLU A 867 15.779 -4.326 -4.529 1.00 47.84 C ATOM 1244 CD GLU A 867 15.821 -4.055 -3.049 1.00 51.31 C ATOM 1245 OE1 GLU A 867 15.596 -4.982 -2.283 1.00 52.16 O ATOM 1246 OE2 GLU A 867 16.071 -2.913 -2.642 1.00 62.93 O ATOM 1247 H GLU A 867 14.132 -6.592 -3.127 1.00 0.00 H ATOM 1248 N GLU A 868 15.290 -8.841 -5.318 1.00 38.18 N ATOM 1249 CA GLU A 868 15.593 -10.121 -5.937 1.00 34.61 C ATOM 1250 C GLU A 868 14.358 -10.747 -6.537 1.00 33.60 C ATOM 1251 O GLU A 868 14.400 -11.258 -7.610 1.00 37.32 O ATOM 1252 CB GLU A 868 16.213 -11.075 -4.954 1.00 33.03 C ATOM 1253 CG GLU A 868 17.633 -10.718 -4.655 1.00 33.50 C ATOM 1254 CD GLU A 868 18.129 -11.329 -3.378 1.00 37.06 C ATOM 1255 OE1 GLU A 868 17.341 -11.799 -2.570 1.00 41.48 O ATOM 1256 OE2 GLU A 868 19.324 -11.348 -3.199 1.00 37.61 O ATOM 1257 H GLU A 868 15.357 -8.756 -4.284 1.00 0.00 H ATOM 1258 N TYR A 869 13.268 -10.684 -5.796 1.00 33.73 N ATOM 1259 CA TYR A 869 12.006 -11.247 -6.195 1.00 33.85 C ATOM 1260 C TYR A 869 11.437 -10.610 -7.473 1.00 35.88 C ATOM 1261 O TYR A 869 10.938 -11.299 -8.323 1.00 35.25 O ATOM 1262 CB TYR A 869 10.996 -11.220 -5.039 1.00 30.15 C ATOM 1263 CG TYR A 869 9.575 -11.442 -5.473 1.00 31.89 C ATOM 1264 CD1 TYR A 869 9.122 -12.695 -5.794 1.00 29.44 C ATOM 1265 CD2 TYR A 869 8.696 -10.384 -5.583 1.00 32.30 C ATOM 1266 CE1 TYR A 869 7.841 -12.889 -6.216 1.00 30.86 C ATOM 1267 CE2 TYR A 869 7.417 -10.562 -5.985 1.00 27.23 C ATOM 1268 CZ TYR A 869 6.999 -11.817 -6.317 1.00 30.67 C ATOM 1269 OH TYR A 869 5.733 -12.003 -6.691 1.00 33.56 O ATOM 1270 HH TYR A 869 5.545 -11.459 -7.496 1.00 0.00 H ATOM 1271 H TYR A 869 13.324 -10.202 -4.876 1.00 0.00 H ATOM 1272 N THR A 870 11.534 -9.302 -7.603 1.00 37.80 N ATOM 1273 CA THR A 870 11.037 -8.629 -8.788 1.00 37.31 C ATOM 1274 C THR A 870 11.755 -9.023 -10.057 1.00 36.44 C ATOM 1275 O THR A 870 11.145 -9.157 -11.087 1.00 38.03 O ATOM 1276 CB THR A 870 10.926 -7.091 -8.646 1.00 36.41 C ATOM 1277 OG1 THR A 870 12.178 -6.525 -8.257 1.00 38.21 O ATOM 1278 CG2 THR A 870 9.885 -6.766 -7.652 1.00 36.13 C ATOM 1279 HG1 THR A 870 12.455 -6.907 -7.387 1.00 0.00 H ATOM 1280 H THR A 870 11.974 -8.744 -6.844 1.00 0.00 H ATOM 1281 N ILE A 871 13.058 -9.174 -9.961 1.00 34.53 N ATOM 1282 CA ILE A 871 13.847 -9.579 -11.092 1.00 35.85 C ATOM 1283 C ILE A 871 13.607 -11.008 -11.571 1.00 35.92 C ATOM 1284 O ILE A 871 13.517 -11.252 -12.738 1.00 36.24 O ATOM 1285 CB ILE A 871 15.351 -9.327 -10.880 1.00 37.71 C ATOM 1286 CG1 ILE A 871 15.572 -8.116 -9.989 1.00 34.93 C ATOM 1287 CG2 ILE A 871 16.043 -9.236 -12.226 1.00 33.86 C ATOM 1288 CD1 ILE A 871 15.851 -6.831 -10.714 1.00 34.11 C ATOM 1289 H ILE A 871 13.526 -8.997 -9.049 1.00 0.00 H ATOM 1290 N MET A 872 13.513 -11.924 -10.626 1.00 32.41 N ATOM 1291 CA MET A 872 13.294 -13.328 -10.861 1.00 30.44 C ATOM 1292 C MET A 872 11.959 -13.568 -11.554 1.00 28.73 C ATOM 1293 O MET A 872 11.845 -14.438 -12.370 1.00 30.77 O ATOM 1294 CB MET A 872 13.401 -14.089 -9.552 1.00 31.20 C ATOM 1295 CG MET A 872 14.772 -14.074 -8.936 1.00 30.58 C ATOM 1296 SD MET A 872 14.888 -14.667 -7.262 1.00 37.44 S ATOM 1297 CE MET A 872 14.834 -16.419 -7.449 1.00 30.86 C ATOM 1298 H MET A 872 13.604 -11.609 -9.639 1.00 0.00 H ATOM 1299 N LYS A 873 10.967 -12.771 -11.199 1.00 29.70 N ATOM 1300 CA LYS A 873 9.641 -12.840 -11.758 1.00 32.46 C ATOM 1301 C LYS A 873 9.643 -12.526 -13.268 1.00 34.22 C ATOM 1302 O LYS A 873 9.009 -13.202 -14.034 1.00 31.28 O ATOM 1303 CB LYS A 873 8.700 -11.939 -10.969 1.00 34.96 C ATOM 1304 CG LYS A 873 7.309 -11.842 -11.512 1.00 38.97 C ATOM 1305 CD LYS A 873 6.287 -11.682 -10.416 1.00 48.81 C ATOM 1306 CE LYS A 873 5.952 -10.233 -10.093 1.00 50.14 C ATOM 1307 NZ LYS A 873 4.672 -9.815 -10.695 1.00 50.94 N ATOM 1308 HZ1 LYS A 873 4.728 -9.914 -11.729 1.00 0.00 H ATOM 1309 HZ2 LYS A 873 3.906 -10.416 -10.329 1.00 0.00 H ATOM 1310 HZ3 LYS A 873 4.483 -8.822 -10.450 1.00 0.00 H ATOM 1311 H LYS A 873 11.155 -12.051 -10.473 1.00 0.00 H ATOM 1312 N VAL A 874 10.381 -11.494 -13.648 1.00 29.39 N ATOM 1313 CA VAL A 874 10.571 -11.090 -14.993 1.00 31.58 C ATOM 1314 C VAL A 874 11.302 -12.196 -15.769 1.00 38.34 C ATOM 1315 O VAL A 874 10.964 -12.495 -16.899 1.00 38.36 O ATOM 1316 CB VAL A 874 11.407 -9.820 -14.994 1.00 32.18 C ATOM 1317 CG1 VAL A 874 11.801 -9.383 -16.395 1.00 28.70 C ATOM 1318 CG2 VAL A 874 10.710 -8.752 -14.205 1.00 31.98 C ATOM 1319 H VAL A 874 10.855 -10.940 -12.906 1.00 0.00 H ATOM 1320 N LEU A 875 12.291 -12.784 -15.117 1.00 34.88 N ATOM 1321 CA LEU A 875 13.076 -13.875 -15.653 1.00 33.63 C ATOM 1322 C LEU A 875 12.202 -15.120 -15.922 1.00 34.29 C ATOM 1323 O LEU A 875 12.426 -15.796 -16.877 1.00 39.07 O ATOM 1324 CB LEU A 875 14.297 -14.182 -14.782 1.00 29.45 C ATOM 1325 CG LEU A 875 15.410 -13.154 -14.766 1.00 30.60 C ATOM 1326 CD1 LEU A 875 16.515 -13.419 -13.770 1.00 30.94 C ATOM 1327 CD2 LEU A 875 15.955 -12.742 -16.118 1.00 28.01 C ATOM 1328 H LEU A 875 12.518 -12.442 -14.162 1.00 0.00 H ATOM 1329 N LEU A 876 11.229 -15.383 -15.063 1.00 30.71 N ATOM 1330 CA LEU A 876 10.285 -16.457 -15.240 1.00 31.11 C ATOM 1331 C LEU A 876 9.385 -16.169 -16.451 1.00 34.08 C ATOM 1332 O LEU A 876 9.057 -17.037 -17.229 1.00 31.95 O ATOM 1333 CB LEU A 876 9.473 -16.734 -13.980 1.00 28.29 C ATOM 1334 CG LEU A 876 10.147 -17.473 -12.835 1.00 32.39 C ATOM 1335 CD1 LEU A 876 9.278 -17.541 -11.611 1.00 30.46 C ATOM 1336 CD2 LEU A 876 10.776 -18.811 -13.167 1.00 28.91 C ATOM 1337 H LEU A 876 11.142 -14.784 -14.217 1.00 0.00 H ATOM 1338 N LEU A 877 9.004 -14.918 -16.591 1.00 31.45 N ATOM 1339 CA LEU A 877 8.221 -14.507 -17.700 1.00 32.02 C ATOM 1340 C LEU A 877 9.028 -14.684 -19.004 1.00 33.99 C ATOM 1341 O LEU A 877 8.477 -14.825 -20.057 1.00 35.55 O ATOM 1342 CB LEU A 877 7.699 -13.103 -17.529 1.00 30.77 C ATOM 1343 CG LEU A 877 7.203 -12.424 -18.795 1.00 29.65 C ATOM 1344 CD1 LEU A 877 5.752 -12.672 -19.155 1.00 28.29 C ATOM 1345 CD2 LEU A 877 7.556 -10.971 -18.848 1.00 27.40 C ATOM 1346 H LEU A 877 9.282 -14.217 -15.875 1.00 0.00 H ATOM 1347 N LEU A 878 10.344 -14.683 -18.888 1.00 33.61 N ATOM 1348 CA LEU A 878 11.238 -14.826 -20.011 1.00 33.69 C ATOM 1349 C LEU A 878 11.887 -16.206 -20.120 1.00 35.65 C ATOM 1350 O LEU A 878 12.812 -16.397 -20.847 1.00 31.05 O ATOM 1351 CB LEU A 878 12.297 -13.701 -20.015 1.00 30.22 C ATOM 1352 CG LEU A 878 11.867 -12.229 -20.080 1.00 31.32 C ATOM 1353 CD1 LEU A 878 13.042 -11.283 -20.112 1.00 29.30 C ATOM 1354 CD2 LEU A 878 10.914 -11.923 -21.219 1.00 29.96 C ATOM 1355 H LEU A 878 10.756 -14.574 -17.939 1.00 0.00 H ATOM 1356 N SER A 879 11.401 -17.154 -19.351 1.00 37.61 N ATOM 1357 CA SER A 879 11.947 -18.498 -19.351 1.00 42.57 C ATOM 1358 C SER A 879 11.492 -19.567 -20.386 1.00 42.98 C ATOM 1359 O SER A 879 12.228 -20.464 -20.665 1.00 40.51 O ATOM 1360 CB SER A 879 12.010 -19.049 -17.931 1.00 44.68 C ATOM 1361 OG SER A 879 10.797 -18.907 -17.268 1.00 58.57 O ATOM 1362 HG SER A 879 10.559 -17.947 -17.219 1.00 0.00 H ATOM 1363 H SER A 879 10.601 -16.934 -18.724 1.00 0.00 H ATOM 1364 N THR A 880 10.286 -19.475 -20.901 1.00 43.82 N ATOM 1365 CA THR A 880 9.824 -20.459 -21.861 1.00 48.79 C ATOM 1366 C THR A 880 9.452 -19.912 -23.244 1.00 48.74 C ATOM 1367 O THR A 880 8.542 -19.154 -23.404 1.00 47.10 O ATOM 1368 CB THR A 880 8.614 -21.238 -21.322 1.00 52.68 C ATOM 1369 OG1 THR A 880 8.689 -21.353 -19.906 1.00 51.78 O ATOM 1370 CG2 THR A 880 8.551 -22.585 -21.932 1.00 50.89 C ATOM 1371 HG1 THR A 880 7.904 -21.857 -19.575 1.00 0.00 H ATOM 1372 H THR A 880 9.661 -18.693 -20.619 1.00 0.00 H ATOM 1373 N ILE A 881 10.167 -20.346 -24.252 1.00 50.72 N ATOM 1374 CA ILE A 881 9.891 -19.888 -25.603 1.00 52.85 C ATOM 1375 C ILE A 881 9.475 -21.004 -26.548 1.00 53.27 C ATOM 1376 O ILE A 881 9.617 -22.170 -26.244 1.00 53.37 O ATOM 1377 CB ILE A 881 10.998 -18.993 -26.194 1.00 53.08 C ATOM 1378 CG1 ILE A 881 12.352 -19.670 -26.151 1.00 50.35 C ATOM 1379 CG2 ILE A 881 11.029 -17.671 -25.464 1.00 58.30 C ATOM 1380 CD1 ILE A 881 13.160 -19.490 -27.402 1.00 49.04 C ATOM 1381 H ILE A 881 10.938 -21.023 -24.084 1.00 0.00 H ATOM 1382 N PRO A 882 8.931 -20.663 -27.700 1.00 57.67 N ATOM 1383 CA PRO A 882 8.507 -21.690 -28.647 1.00 60.21 C ATOM 1384 C PRO A 882 9.694 -22.317 -29.335 1.00 65.88 C ATOM 1385 O PRO A 882 10.755 -21.728 -29.373 1.00 61.64 O ATOM 1386 CB PRO A 882 7.632 -20.929 -29.624 1.00 57.87 C ATOM 1387 CG PRO A 882 8.151 -19.563 -29.594 1.00 56.90 C ATOM 1388 CD PRO A 882 8.805 -19.318 -28.274 1.00 58.45 C ATOM 1389 N LYS A 883 9.503 -23.474 -29.940 1.00 71.65 N ATOM 1390 CA LYS A 883 10.613 -24.131 -30.605 1.00 72.51 C ATOM 1391 C LYS A 883 11.275 -23.336 -31.728 1.00 72.89 C ATOM 1392 O LYS A 883 12.491 -23.296 -31.801 1.00 69.33 O ATOM 1393 CB LYS A 883 10.165 -25.483 -31.137 1.00 78.28 C ATOM 1394 CG LYS A 883 11.214 -26.563 -30.988 1.00 93.31 C ATOM 1395 CD LYS A 883 10.745 -27.874 -31.595 1.00105.51 C ATOM 1396 CE LYS A 883 11.899 -28.702 -32.131 1.00100.58 C ATOM 1397 NZ LYS A 883 12.991 -28.856 -31.141 1.00 95.42 N ATOM 1398 HZ1 LYS A 883 13.360 -27.918 -30.885 1.00 0.00 H ATOM 1399 HZ2 LYS A 883 12.623 -29.329 -30.291 1.00 0.00 H ATOM 1400 HZ3 LYS A 883 13.754 -29.429 -31.555 1.00 0.00 H ATOM 1401 H LYS A 883 8.560 -23.913 -29.940 1.00 0.00 H ATOM 1402 N ASP A 884 10.502 -22.711 -32.600 1.00 73.91 N ATOM 1403 CA ASP A 884 11.118 -21.970 -33.693 1.00 79.08 C ATOM 1404 C ASP A 884 11.451 -20.562 -33.268 1.00 78.92 C ATOM 1405 O ASP A 884 12.023 -19.793 -34.018 1.00 79.35 O ATOM 1406 CB ASP A 884 10.274 -22.019 -34.969 1.00 82.87 C ATOM 1407 CG ASP A 884 9.977 -23.429 -35.410 1.00 80.34 C ATOM 1408 OD1 ASP A 884 10.926 -24.185 -35.607 1.00 73.26 O ATOM 1409 OD2 ASP A 884 8.801 -23.783 -35.564 1.00 71.98 O ATOM 1410 H ASP A 884 9.467 -22.748 -32.507 1.00 0.00 H ATOM 1411 N GLY A 885 11.119 -20.261 -32.024 1.00 81.70 N ATOM 1412 CA GLY A 885 11.392 -18.966 -31.450 1.00 65.68 C ATOM 1413 C GLY A 885 10.320 -17.926 -31.608 1.00 59.43 C ATOM 1414 O GLY A 885 9.195 -18.199 -31.970 1.00 56.62 O ATOM 1415 H GLY A 885 10.646 -20.981 -31.441 1.00 0.00 H ATOM 1416 N LEU A 886 10.704 -16.711 -31.297 1.00 52.44 N ATOM 1417 CA LEU A 886 9.819 -15.579 -31.385 1.00 54.57 C ATOM 1418 C LEU A 886 10.066 -14.807 -32.665 1.00 52.81 C ATOM 1419 O LEU A 886 11.032 -15.056 -33.350 1.00 57.50 O ATOM 1420 CB LEU A 886 10.026 -14.691 -30.177 1.00 47.19 C ATOM 1421 CG LEU A 886 9.903 -15.424 -28.859 1.00 47.96 C ATOM 1422 CD1 LEU A 886 10.737 -14.709 -27.820 1.00 46.53 C ATOM 1423 CD2 LEU A 886 8.470 -15.540 -28.405 1.00 42.92 C ATOM 1424 H LEU A 886 11.682 -16.560 -30.976 1.00 0.00 H ATOM 1425 N LYS A 887 9.199 -13.854 -32.954 1.00 48.05 N ATOM 1426 CA LYS A 887 9.339 -12.986 -34.108 1.00 47.36 C ATOM 1427 C LYS A 887 10.630 -12.166 -34.010 1.00 46.16 C ATOM 1428 O LYS A 887 11.329 -12.009 -34.986 1.00 50.03 O ATOM 1429 CB LYS A 887 8.116 -12.076 -34.264 1.00 44.94 C ATOM 1430 CG LYS A 887 6.908 -12.798 -34.804 1.00 56.30 C ATOM 1431 CD LYS A 887 5.741 -11.884 -35.130 1.00 64.38 C ATOM 1432 CE LYS A 887 4.738 -12.570 -36.043 1.00 63.22 C ATOM 1433 NZ LYS A 887 3.935 -13.592 -35.321 1.00 69.47 N ATOM 1434 HZ1 LYS A 887 4.570 -14.318 -34.931 1.00 0.00 H ATOM 1435 HZ2 LYS A 887 3.411 -13.136 -34.547 1.00 0.00 H ATOM 1436 HZ3 LYS A 887 3.264 -14.034 -35.982 1.00 0.00 H ATOM 1437 H LYS A 887 8.380 -13.720 -32.327 1.00 0.00 H ATOM 1438 N SER A 888 10.974 -11.705 -32.821 1.00 40.63 N ATOM 1439 CA SER A 888 12.213 -10.973 -32.630 1.00 39.41 C ATOM 1440 C SER A 888 12.993 -11.647 -31.540 1.00 41.23 C ATOM 1441 O SER A 888 13.065 -11.191 -30.422 1.00 41.86 O ATOM 1442 CB SER A 888 12.041 -9.501 -32.284 1.00 44.25 C ATOM 1443 OG SER A 888 10.751 -9.185 -31.926 1.00 55.16 O ATOM 1444 HG SER A 888 10.491 -9.715 -31.132 1.00 0.00 H ATOM 1445 H SER A 888 10.347 -11.869 -32.008 1.00 0.00 H ATOM 1446 N GLN A 889 13.582 -12.757 -31.925 1.00 39.58 N ATOM 1447 CA GLN A 889 14.349 -13.582 -31.048 1.00 41.47 C ATOM 1448 C GLN A 889 15.535 -12.854 -30.458 1.00 43.17 C ATOM 1449 O GLN A 889 15.804 -13.009 -29.280 1.00 52.50 O ATOM 1450 CB GLN A 889 14.802 -14.839 -31.795 1.00 39.72 C ATOM 1451 CG GLN A 889 15.587 -15.823 -30.966 1.00 42.03 C ATOM 1452 CD GLN A 889 14.795 -16.405 -29.808 1.00 44.20 C ATOM 1453 OE1 GLN A 889 13.641 -16.705 -29.935 1.00 48.40 O ATOM 1454 NE2 GLN A 889 15.439 -16.589 -28.696 1.00 45.01 N ATOM 1455 HE22 GLN A 889 16.440 -16.316 -28.623 1.00 0.00 H ATOM 1456 HE21 GLN A 889 14.954 -17.009 -27.878 1.00 0.00 H ATOM 1457 H GLN A 889 13.484 -13.049 -32.918 1.00 0.00 H ATOM 1458 N ALA A 890 16.240 -12.094 -31.285 1.00 38.60 N ATOM 1459 CA ALA A 890 17.411 -11.352 -30.872 1.00 39.01 C ATOM 1460 C ALA A 890 17.101 -10.289 -29.845 1.00 42.79 C ATOM 1461 O ALA A 890 17.852 -10.094 -28.902 1.00 44.90 O ATOM 1462 CB ALA A 890 18.123 -10.751 -32.066 1.00 33.49 C ATOM 1463 H ALA A 890 15.937 -12.028 -32.278 1.00 0.00 H ATOM 1464 N ALA A 891 15.999 -9.594 -30.062 1.00 38.58 N ATOM 1465 CA ALA A 891 15.579 -8.543 -29.166 1.00 45.31 C ATOM 1466 C ALA A 891 15.269 -9.109 -27.781 1.00 43.98 C ATOM 1467 O ALA A 891 15.642 -8.545 -26.785 1.00 47.40 O ATOM 1468 CB ALA A 891 14.394 -7.780 -29.732 1.00 38.69 C ATOM 1469 H ALA A 891 15.420 -9.809 -30.899 1.00 0.00 H ATOM 1470 N PHE A 892 14.583 -10.235 -27.768 1.00 42.66 N ATOM 1471 CA PHE A 892 14.211 -10.950 -26.580 1.00 43.49 C ATOM 1472 C PHE A 892 15.469 -11.406 -25.842 1.00 43.33 C ATOM 1473 O PHE A 892 15.538 -11.339 -24.640 1.00 45.67 O ATOM 1474 CB PHE A 892 13.346 -12.159 -26.973 1.00 39.62 C ATOM 1475 CG PHE A 892 13.298 -13.249 -25.947 1.00 39.23 C ATOM 1476 CD1 PHE A 892 12.444 -13.160 -24.862 1.00 39.88 C ATOM 1477 CD2 PHE A 892 14.103 -14.352 -26.049 1.00 39.05 C ATOM 1478 CE1 PHE A 892 12.406 -14.140 -23.904 1.00 34.96 C ATOM 1479 CE2 PHE A 892 14.060 -15.335 -25.090 1.00 37.94 C ATOM 1480 CZ PHE A 892 13.214 -15.225 -24.019 1.00 35.37 C ATOM 1481 H PHE A 892 14.291 -10.633 -28.683 1.00 0.00 H ATOM 1482 N GLU A 893 16.440 -11.861 -26.608 1.00 40.28 N ATOM 1483 CA GLU A 893 17.692 -12.345 -26.112 1.00 43.35 C ATOM 1484 C GLU A 893 18.522 -11.295 -25.392 1.00 47.79 C ATOM 1485 O GLU A 893 19.037 -11.592 -24.352 1.00 53.28 O ATOM 1486 CB GLU A 893 18.484 -13.019 -27.230 1.00 47.04 C ATOM 1487 CG GLU A 893 18.508 -14.539 -27.195 1.00 54.59 C ATOM 1488 CD GLU A 893 18.685 -15.186 -28.573 1.00 68.50 C ATOM 1489 OE1 GLU A 893 18.940 -14.466 -29.563 1.00 69.66 O ATOM 1490 OE2 GLU A 893 18.562 -16.421 -28.675 1.00 62.63 O ATOM 1491 H GLU A 893 16.287 -11.869 -27.637 1.00 0.00 H ATOM 1492 N GLU A 894 18.645 -10.096 -25.948 1.00 53.94 N ATOM 1493 CA GLU A 894 19.397 -9.022 -25.339 1.00 56.70 C ATOM 1494 C GLU A 894 18.775 -8.639 -23.996 1.00 59.09 C ATOM 1495 O GLU A 894 19.464 -8.480 -23.018 1.00 66.46 O ATOM 1496 CB GLU A 894 19.392 -7.771 -26.252 1.00 68.25 C ATOM 1497 CG GLU A 894 20.306 -7.781 -27.481 1.00 86.88 C ATOM 1498 CD GLU A 894 20.113 -6.573 -28.421 1.00102.52 C ATOM 1499 OE1 GLU A 894 19.160 -6.545 -29.238 1.00 98.53 O ATOM 1500 OE2 GLU A 894 20.938 -5.643 -28.362 1.00109.83 O ATOM 1501 H GLU A 894 18.180 -9.922 -26.862 1.00 0.00 H ATOM 1502 N MET A 895 17.468 -8.448 -23.977 1.00 58.27 N ATOM 1503 CA MET A 895 16.734 -8.101 -22.766 1.00 61.20 C ATOM 1504 C MET A 895 16.724 -9.202 -21.688 1.00 53.63 C ATOM 1505 O MET A 895 16.739 -8.903 -20.531 1.00 53.81 O ATOM 1506 CB MET A 895 15.343 -7.575 -23.074 1.00 62.89 C ATOM 1507 CG MET A 895 14.440 -8.573 -23.725 1.00 69.70 C ATOM 1508 SD MET A 895 12.751 -8.207 -23.296 1.00 84.21 S ATOM 1509 CE MET A 895 12.920 -7.788 -21.580 1.00 78.79 C ATOM 1510 H MET A 895 16.939 -8.550 -24.866 1.00 0.00 H ATOM 1511 N ARG A 896 16.682 -10.459 -22.090 1.00 44.80 N ATOM 1512 CA ARG A 896 16.724 -11.524 -21.123 1.00 46.25 C ATOM 1513 C ARG A 896 18.094 -11.498 -20.404 1.00 46.66 C ATOM 1514 O ARG A 896 18.160 -11.619 -19.185 1.00 42.45 O ATOM 1515 CB ARG A 896 16.427 -12.869 -21.778 1.00 43.89 C ATOM 1516 CG ARG A 896 16.357 -13.999 -20.790 1.00 43.58 C ATOM 1517 CD ARG A 896 16.231 -15.349 -21.437 1.00 43.96 C ATOM 1518 NE ARG A 896 16.034 -16.305 -20.382 1.00 53.76 N ATOM 1519 CZ ARG A 896 16.995 -17.016 -19.824 1.00 60.13 C ATOM 1520 NH1 ARG A 896 18.236 -16.929 -20.245 1.00 66.25 N ATOM 1521 NH2 ARG A 896 16.704 -17.828 -18.847 1.00 71.91 N ATOM 1522 HE ARG A 896 15.064 -16.446 -20.034 1.00 0.00 H ATOM 1523 HH12 ARG A 896 18.980 -17.498 -19.792 1.00 0.00 H ATOM 1524 HH11 ARG A 896 18.475 -16.291 -21.031 1.00 0.00 H ATOM 1525 HH22 ARG A 896 17.454 -18.393 -18.400 1.00 0.00 H ATOM 1526 HH21 ARG A 896 15.722 -17.911 -18.515 1.00 0.00 H ATOM 1527 H ARG A 896 16.619 -10.679 -23.104 1.00 0.00 H ATOM 1528 N THR A 897 19.149 -11.300 -21.204 1.00 42.81 N ATOM 1529 CA THR A 897 20.535 -11.183 -20.777 1.00 41.31 C ATOM 1530 C THR A 897 20.739 -9.958 -19.891 1.00 41.12 C ATOM 1531 O THR A 897 21.426 -10.032 -18.908 1.00 42.65 O ATOM 1532 CB THR A 897 21.519 -11.144 -21.985 1.00 44.17 C ATOM 1533 OG1 THR A 897 21.663 -12.447 -22.515 1.00 44.21 O ATOM 1534 CG2 THR A 897 22.904 -10.649 -21.605 1.00 39.50 C ATOM 1535 HG1 THR A 897 22.288 -12.423 -23.282 1.00 0.00 H ATOM 1536 H THR A 897 18.961 -11.223 -22.224 1.00 0.00 H ATOM 1537 N ASN A 898 20.135 -8.841 -20.255 1.00 40.06 N ATOM 1538 CA ASN A 898 20.265 -7.635 -19.471 1.00 42.59 C ATOM 1539 C ASN A 898 19.670 -7.824 -18.091 1.00 44.00 C ATOM 1540 O ASN A 898 20.205 -7.370 -17.104 1.00 44.64 O ATOM 1541 CB ASN A 898 19.677 -6.429 -20.190 1.00 41.86 C ATOM 1542 CG ASN A 898 20.553 -5.948 -21.316 1.00 54.92 C ATOM 1543 OD1 ASN A 898 21.748 -6.215 -21.347 1.00 56.24 O ATOM 1544 ND2 ASN A 898 19.956 -5.256 -22.261 1.00 57.60 N ATOM 1545 HD22 ASN A 898 18.938 -5.053 -22.193 1.00 0.00 H ATOM 1546 HD21 ASN A 898 20.501 -4.912 -23.077 1.00 0.00 H ATOM 1547 H ASN A 898 19.557 -8.830 -21.119 1.00 0.00 H ATOM 1548 N TYR A 899 18.546 -8.507 -18.062 1.00 41.54 N ATOM 1549 CA TYR A 899 17.826 -8.853 -16.856 1.00 42.89 C ATOM 1550 C TYR A 899 18.589 -9.807 -15.915 1.00 42.51 C ATOM 1551 O TYR A 899 18.473 -9.690 -14.730 1.00 40.08 O ATOM 1552 CB TYR A 899 16.429 -9.380 -17.194 1.00 43.00 C ATOM 1553 CG TYR A 899 15.414 -8.322 -17.198 1.00 40.88 C ATOM 1554 CD1 TYR A 899 15.090 -7.660 -16.041 1.00 39.68 C ATOM 1555 CD2 TYR A 899 14.798 -7.942 -18.367 1.00 42.54 C ATOM 1556 CE1 TYR A 899 14.158 -6.666 -16.042 1.00 40.23 C ATOM 1557 CE2 TYR A 899 13.867 -6.951 -18.372 1.00 42.29 C ATOM 1558 CZ TYR A 899 13.556 -6.313 -17.203 1.00 42.41 C ATOM 1559 OH TYR A 899 12.638 -5.316 -17.205 1.00 45.27 O ATOM 1560 HH TYR A 899 12.943 -4.589 -17.804 1.00 0.00 H ATOM 1561 H TYR A 899 18.147 -8.820 -18.970 1.00 0.00 H ATOM 1562 N ILE A 900 19.326 -10.761 -16.481 1.00 42.85 N ATOM 1563 CA ILE A 900 20.159 -11.704 -15.740 1.00 39.56 C ATOM 1564 C ILE A 900 21.284 -10.903 -15.079 1.00 42.97 C ATOM 1565 O ILE A 900 21.656 -11.137 -13.956 1.00 43.82 O ATOM 1566 CB ILE A 900 20.690 -12.856 -16.640 1.00 37.61 C ATOM 1567 CG1 ILE A 900 19.572 -13.814 -17.032 1.00 35.71 C ATOM 1568 CG2 ILE A 900 21.797 -13.632 -15.969 1.00 33.47 C ATOM 1569 CD1 ILE A 900 19.862 -14.709 -18.203 1.00 30.34 C ATOM 1570 H ILE A 900 19.307 -10.839 -17.518 1.00 0.00 H ATOM 1571 N LYS A 901 21.813 -9.952 -15.830 1.00 49.11 N ATOM 1572 CA LYS A 901 22.846 -9.044 -15.386 1.00 53.31 C ATOM 1573 C LYS A 901 22.284 -8.153 -14.303 1.00 50.26 C ATOM 1574 O LYS A 901 22.981 -7.787 -13.380 1.00 59.43 O ATOM 1575 CB LYS A 901 23.407 -8.224 -16.549 1.00 63.75 C ATOM 1576 CG LYS A 901 23.803 -9.051 -17.759 1.00 64.93 C ATOM 1577 CD LYS A 901 24.899 -8.422 -18.578 1.00 61.69 C ATOM 1578 CE LYS A 901 25.017 -9.160 -19.894 1.00 66.42 C ATOM 1579 NZ LYS A 901 26.375 -9.167 -20.491 1.00 71.01 N ATOM 1580 HZ1 LYS A 901 26.679 -8.189 -20.670 1.00 0.00 H ATOM 1581 HZ2 LYS A 901 27.039 -9.623 -19.833 1.00 0.00 H ATOM 1582 HZ3 LYS A 901 26.356 -9.695 -21.387 1.00 0.00 H ATOM 1583 H LYS A 901 21.463 -9.851 -16.804 1.00 0.00 H ATOM 1584 N GLU A 902 21.015 -7.802 -14.447 1.00 44.22 N ATOM 1585 CA GLU A 902 20.307 -6.981 -13.490 1.00 40.10 C ATOM 1586 C GLU A 902 20.184 -7.699 -12.159 1.00 38.20 C ATOM 1587 O GLU A 902 20.352 -7.099 -11.136 1.00 38.26 O ATOM 1588 CB GLU A 902 18.951 -6.554 -14.037 1.00 42.55 C ATOM 1589 CG GLU A 902 18.241 -5.505 -13.229 1.00 47.21 C ATOM 1590 CD GLU A 902 19.099 -4.312 -12.902 1.00 54.38 C ATOM 1591 OE1 GLU A 902 20.181 -4.171 -13.469 1.00 59.53 O ATOM 1592 OE2 GLU A 902 18.693 -3.512 -12.070 1.00 53.85 O ATOM 1593 H GLU A 902 20.503 -8.133 -15.289 1.00 0.00 H ATOM 1594 N LEU A 903 19.867 -8.983 -12.190 1.00 39.00 N ATOM 1595 CA LEU A 903 19.776 -9.791 -10.988 1.00 38.12 C ATOM 1596 C LEU A 903 21.128 -9.955 -10.259 1.00 38.01 C ATOM 1597 O LEU A 903 21.195 -9.906 -9.058 1.00 38.93 O ATOM 1598 CB LEU A 903 19.218 -11.143 -11.309 1.00 38.21 C ATOM 1599 CG LEU A 903 19.288 -12.136 -10.165 1.00 36.66 C ATOM 1600 CD1 LEU A 903 18.344 -11.787 -9.039 1.00 35.88 C ATOM 1601 CD2 LEU A 903 19.024 -13.493 -10.713 1.00 32.69 C ATOM 1602 H LEU A 903 19.676 -9.430 -13.110 1.00 0.00 H ATOM 1603 N ARG A 904 22.185 -10.148 -11.027 1.00 39.09 N ATOM 1604 CA ARG A 904 23.539 -10.293 -10.523 1.00 44.53 C ATOM 1605 C ARG A 904 23.988 -9.017 -9.802 1.00 45.03 C ATOM 1606 O ARG A 904 24.664 -9.090 -8.821 1.00 46.20 O ATOM 1607 CB ARG A 904 24.505 -10.714 -11.631 1.00 44.68 C ATOM 1608 CG ARG A 904 25.910 -11.105 -11.194 1.00 48.81 C ATOM 1609 CD ARG A 904 25.959 -11.887 -9.901 1.00 50.80 C ATOM 1610 NE ARG A 904 27.307 -11.966 -9.378 1.00 60.23 N ATOM 1611 CZ ARG A 904 27.779 -11.273 -8.350 1.00 64.97 C ATOM 1612 NH1 ARG A 904 27.025 -10.430 -7.675 1.00 67.41 N ATOM 1613 NH2 ARG A 904 29.024 -11.430 -7.983 1.00 70.26 N ATOM 1614 HE ARG A 904 27.962 -12.623 -9.849 1.00 0.00 H ATOM 1615 HH12 ARG A 904 27.425 -9.901 -6.874 1.00 0.00 H ATOM 1616 HH11 ARG A 904 26.030 -10.293 -7.943 1.00 0.00 H ATOM 1617 HH22 ARG A 904 29.401 -10.890 -7.178 1.00 0.00 H ATOM 1618 HH21 ARG A 904 29.637 -12.095 -8.496 1.00 0.00 H ATOM 1619 H ARG A 904 22.039 -10.199 -12.055 1.00 0.00 H ATOM 1620 N LYS A 905 23.580 -7.861 -10.303 1.00 49.82 N ATOM 1621 CA LYS A 905 23.856 -6.574 -9.700 1.00 50.01 C ATOM 1622 C LYS A 905 23.201 -6.543 -8.326 1.00 57.21 C ATOM 1623 O LYS A 905 23.833 -6.237 -7.339 1.00 58.68 O ATOM 1624 CB LYS A 905 23.257 -5.468 -10.541 1.00 52.12 C ATOM 1625 CG LYS A 905 24.182 -4.873 -11.567 1.00 63.66 C ATOM 1626 CD LYS A 905 23.497 -4.708 -12.908 1.00 75.34 C ATOM 1627 CE LYS A 905 24.397 -4.052 -13.947 1.00 84.65 C ATOM 1628 NZ LYS A 905 25.156 -4.992 -14.826 1.00 84.57 N ATOM 1629 HZ1 LYS A 905 25.772 -5.592 -14.240 1.00 0.00 H ATOM 1630 HZ2 LYS A 905 24.487 -5.590 -15.352 1.00 0.00 H ATOM 1631 HZ3 LYS A 905 25.736 -4.447 -15.495 1.00 0.00 H ATOM 1632 H LYS A 905 23.027 -7.879 -11.184 1.00 0.00 H ATOM 1633 N MET A 906 21.928 -6.899 -8.287 1.00 56.79 N ATOM 1634 CA MET A 906 21.137 -6.935 -7.075 1.00 58.63 C ATOM 1635 C MET A 906 21.577 -7.886 -5.963 1.00 65.21 C ATOM 1636 O MET A 906 21.326 -7.605 -4.824 1.00 78.92 O ATOM 1637 CB MET A 906 19.674 -7.216 -7.400 1.00 48.76 C ATOM 1638 CG MET A 906 18.962 -6.110 -8.140 1.00 53.74 C ATOM 1639 SD MET A 906 18.849 -4.539 -7.301 1.00 54.81 S ATOM 1640 CE MET A 906 19.881 -3.563 -8.362 1.00 50.00 C ATOM 1641 H MET A 906 21.468 -7.169 -9.180 1.00 0.00 H ATOM 1642 N VAL A 907 22.213 -9.003 -6.278 1.00 65.95 N ATOM 1643 CA VAL A 907 22.625 -9.933 -5.242 1.00 64.09 C ATOM 1644 C VAL A 907 23.816 -9.419 -4.467 1.00 63.57 C ATOM 1645 O VAL A 907 24.033 -9.866 -3.358 1.00 73.97 O ATOM 1646 CB VAL A 907 22.924 -11.362 -5.752 1.00 60.46 C ATOM 1647 CG1 VAL A 907 21.662 -12.191 -5.847 1.00 59.01 C ATOM 1648 CG2 VAL A 907 23.697 -11.352 -7.052 1.00 58.53 C ATOM 1649 H VAL A 907 22.419 -9.216 -7.275 1.00 0.00 H TER 1650 VAL A 907 ATOM 1651 N ASN A 913 30.994 -9.261 0.060 1.00 69.51 N ATOM 1652 CA ASN A 913 31.968 -10.088 -0.651 1.00 77.06 C ATOM 1653 C ASN A 913 31.523 -10.736 -1.954 1.00 71.20 C ATOM 1654 O ASN A 913 30.403 -11.145 -2.108 1.00 75.34 O ATOM 1655 CB ASN A 913 32.608 -11.134 0.267 1.00 76.36 C ATOM 1656 CG ASN A 913 31.609 -12.063 0.890 1.00 82.60 C ATOM 1657 OD1 ASN A 913 30.707 -11.642 1.601 1.00 87.78 O ATOM 1658 ND2 ASN A 913 31.782 -13.339 0.649 1.00 85.21 N ATOM 1659 HD22 ASN A 913 32.563 -13.652 0.038 1.00 0.00 H ATOM 1660 HD21 ASN A 913 31.138 -14.039 1.069 1.00 0.00 H ATOM 1661 HN3 ASN A 913 30.166 -9.839 0.309 1.00 0.00 H ATOM 1662 HN2 ASN A 913 30.697 -8.474 -0.552 1.00 0.00 H ATOM 1663 HN1 ASN A 913 31.428 -8.884 0.927 1.00 0.00 H ATOM 1664 N SER A 914 32.467 -10.836 -2.872 1.00 71.60 N ATOM 1665 CA SER A 914 32.261 -11.411 -4.182 1.00 68.34 C ATOM 1666 C SER A 914 31.863 -12.861 -4.154 1.00 64.02 C ATOM 1667 O SER A 914 31.038 -13.287 -4.923 1.00 65.32 O ATOM 1668 CB SER A 914 33.559 -11.315 -4.970 1.00 71.01 C ATOM 1669 OG SER A 914 33.401 -10.521 -6.113 1.00 85.33 O ATOM 1670 HG SER A 914 34.259 -10.477 -6.604 1.00 0.00 H ATOM 1671 H SER A 914 33.416 -10.480 -2.638 1.00 0.00 H ATOM 1672 N GLY A 915 32.489 -13.621 -3.279 1.00 64.28 N ATOM 1673 CA GLY A 915 32.216 -15.033 -3.182 1.00 64.78 C ATOM 1674 C GLY A 915 30.800 -15.304 -2.776 1.00 61.76 C ATOM 1675 O GLY A 915 30.169 -16.173 -3.311 1.00 64.41 O ATOM 1676 H GLY A 915 33.194 -13.194 -2.645 1.00 0.00 H ATOM 1677 N GLN A 916 30.329 -14.568 -1.790 1.00 61.09 N ATOM 1678 CA GLN A 916 28.974 -14.705 -1.314 1.00 64.42 C ATOM 1679 C GLN A 916 27.915 -14.285 -2.335 1.00 59.75 C ATOM 1680 O GLN A 916 26.874 -14.867 -2.405 1.00 55.77 O ATOM 1681 CB GLN A 916 28.795 -14.080 0.079 1.00 70.19 C ATOM 1682 CG GLN A 916 28.172 -12.700 0.157 1.00 77.84 C ATOM 1683 CD GLN A 916 27.558 -12.421 1.522 1.00 77.35 C ATOM 1684 OE1 GLN A 916 28.261 -12.120 2.467 1.00 77.16 O ATOM 1685 NE2 GLN A 916 26.252 -12.531 1.622 1.00 74.35 N ATOM 1686 HE22 GLN A 916 25.687 -12.791 0.789 1.00 0.00 H ATOM 1687 HE21 GLN A 916 25.784 -12.358 2.535 1.00 0.00 H ATOM 1688 H GLN A 916 30.953 -13.867 -1.341 1.00 0.00 H ATOM 1689 N SER A 917 28.205 -13.244 -3.091 1.00 53.12 N ATOM 1690 CA SER A 917 27.328 -12.726 -4.109 1.00 51.41 C ATOM 1691 C SER A 917 27.132 -13.707 -5.248 1.00 50.89 C ATOM 1692 O SER A 917 26.053 -13.876 -5.750 1.00 49.34 O ATOM 1693 CB SER A 917 27.884 -11.421 -4.629 1.00 57.39 C ATOM 1694 OG SER A 917 27.804 -10.440 -3.646 1.00 67.27 O ATOM 1695 HG SER A 917 28.327 -10.724 -2.855 1.00 0.00 H ATOM 1696 H SER A 917 29.119 -12.770 -2.944 1.00 0.00 H ATOM 1697 N TRP A 918 28.218 -14.331 -5.652 1.00 45.68 N ATOM 1698 CA TRP A 918 28.194 -15.331 -6.680 1.00 43.09 C ATOM 1699 C TRP A 918 27.398 -16.538 -6.195 1.00 43.24 C ATOM 1700 O TRP A 918 26.652 -17.099 -6.954 1.00 45.97 O ATOM 1701 CB TRP A 918 29.601 -15.708 -7.106 1.00 41.33 C ATOM 1702 CG TRP A 918 30.125 -14.855 -8.166 1.00 42.99 C ATOM 1703 CD1 TRP A 918 31.222 -14.065 -8.107 1.00 45.68 C ATOM 1704 CD2 TRP A 918 29.582 -14.684 -9.461 1.00 43.14 C ATOM 1705 NE1 TRP A 918 31.394 -13.414 -9.276 1.00 45.56 N ATOM 1706 CE2 TRP A 918 30.398 -13.776 -10.131 1.00 43.21 C ATOM 1707 CE3 TRP A 918 28.482 -15.209 -10.126 1.00 45.98 C ATOM 1708 CZ2 TRP A 918 30.147 -13.381 -11.418 1.00 45.90 C ATOM 1709 CZ3 TRP A 918 28.244 -14.810 -11.391 1.00 42.17 C ATOM 1710 CH2 TRP A 918 29.074 -13.925 -12.031 1.00 44.82 C ATOM 1711 HE1 TRP A 918 32.161 -12.745 -9.489 1.00 0.00 H ATOM 1712 H TRP A 918 29.128 -14.090 -5.209 1.00 0.00 H ATOM 1713 N GLN A 919 27.575 -16.911 -4.935 1.00 37.77 N ATOM 1714 CA GLN A 919 26.858 -18.020 -4.322 1.00 40.23 C ATOM 1715 C GLN A 919 25.343 -17.754 -4.251 1.00 42.98 C ATOM 1716 O GLN A 919 24.550 -18.655 -4.397 1.00 47.38 O ATOM 1717 CB GLN A 919 27.412 -18.375 -2.937 1.00 39.10 C ATOM 1718 CG GLN A 919 26.731 -19.598 -2.328 1.00 39.14 C ATOM 1719 CD GLN A 919 27.076 -19.864 -0.879 1.00 47.53 C ATOM 1720 OE1 GLN A 919 27.331 -18.952 -0.118 1.00 51.87 O ATOM 1721 NE2 GLN A 919 27.075 -21.122 -0.492 1.00 43.89 N ATOM 1722 HE22 GLN A 919 26.852 -21.875 -1.173 1.00 0.00 H ATOM 1723 HE21 GLN A 919 27.298 -21.363 0.495 1.00 0.00 H ATOM 1724 H GLN A 919 28.260 -16.385 -4.356 1.00 0.00 H ATOM 1725 N ARG A 920 24.978 -16.511 -3.984 1.00 39.02 N ATOM 1726 CA ARG A 920 23.603 -16.109 -3.927 1.00 40.92 C ATOM 1727 C ARG A 920 22.952 -16.172 -5.303 1.00 37.21 C ATOM 1728 O ARG A 920 21.839 -16.643 -5.445 1.00 35.51 O ATOM 1729 CB ARG A 920 23.444 -14.726 -3.276 1.00 42.71 C ATOM 1730 CG ARG A 920 22.063 -14.514 -2.704 1.00 44.36 C ATOM 1731 CD ARG A 920 21.896 -13.222 -1.955 1.00 44.27 C ATOM 1732 NE ARG A 920 20.522 -13.025 -1.533 1.00 45.27 N ATOM 1733 CZ ARG A 920 19.863 -13.802 -0.688 1.00 44.45 C ATOM 1734 NH1 ARG A 920 20.435 -14.844 -0.145 1.00 43.84 N ATOM 1735 NH2 ARG A 920 18.626 -13.529 -0.389 1.00 42.64 N ATOM 1736 HE ARG A 920 20.014 -12.207 -1.926 1.00 0.00 H ATOM 1737 HH12 ARG A 920 19.902 -15.444 0.517 1.00 0.00 H ATOM 1738 HH11 ARG A 920 21.423 -15.074 -0.375 1.00 0.00 H ATOM 1739 HH22 ARG A 920 18.105 -14.137 0.275 1.00 0.00 H ATOM 1740 HH21 ARG A 920 18.159 -12.703 -0.814 1.00 0.00 H ATOM 1741 H ARG A 920 25.716 -15.799 -3.809 1.00 0.00 H ATOM 1742 N PHE A 921 23.698 -15.700 -6.296 1.00 36.13 N ATOM 1743 CA PHE A 921 23.276 -15.703 -7.669 1.00 38.38 C ATOM 1744 C PHE A 921 23.037 -17.165 -8.108 1.00 38.26 C ATOM 1745 O PHE A 921 22.087 -17.454 -8.800 1.00 35.08 O ATOM 1746 CB PHE A 921 24.279 -14.981 -8.549 1.00 36.68 C ATOM 1747 CG PHE A 921 23.910 -14.966 -9.983 1.00 43.93 C ATOM 1748 CD1 PHE A 921 22.952 -14.098 -10.454 1.00 46.54 C ATOM 1749 CD2 PHE A 921 24.490 -15.844 -10.861 1.00 47.71 C ATOM 1750 CE1 PHE A 921 22.599 -14.086 -11.776 1.00 48.14 C ATOM 1751 CE2 PHE A 921 24.129 -15.855 -12.185 1.00 49.07 C ATOM 1752 CZ PHE A 921 23.189 -14.969 -12.647 1.00 46.94 C ATOM 1753 H PHE A 921 24.634 -15.309 -6.068 1.00 0.00 H ATOM 1754 N TYR A 922 23.907 -18.069 -7.677 1.00 36.44 N ATOM 1755 CA TYR A 922 23.757 -19.475 -7.958 1.00 35.09 C ATOM 1756 C TYR A 922 22.489 -20.036 -7.282 1.00 37.55 C ATOM 1757 O TYR A 922 21.744 -20.808 -7.856 1.00 38.13 O ATOM 1758 CB TYR A 922 25.007 -20.264 -7.544 1.00 35.02 C ATOM 1759 CG TYR A 922 24.801 -21.755 -7.586 1.00 34.55 C ATOM 1760 CD1 TYR A 922 24.763 -22.439 -8.788 1.00 35.89 C ATOM 1761 CD2 TYR A 922 24.600 -22.467 -6.434 1.00 35.78 C ATOM 1762 CE1 TYR A 922 24.537 -23.794 -8.834 1.00 35.82 C ATOM 1763 CE2 TYR A 922 24.372 -23.817 -6.470 1.00 39.64 C ATOM 1764 CZ TYR A 922 24.348 -24.477 -7.668 1.00 41.43 C ATOM 1765 OH TYR A 922 24.131 -25.819 -7.665 1.00 45.49 O ATOM 1766 HH TYR A 922 24.141 -26.156 -8.596 1.00 0.00 H ATOM 1767 H TYR A 922 24.725 -17.753 -7.118 1.00 0.00 H ATOM 1768 N GLN A 923 22.282 -19.613 -6.047 1.00 36.02 N ATOM 1769 CA GLN A 923 21.146 -20.023 -5.252 1.00 40.38 C ATOM 1770 C GLN A 923 19.808 -19.598 -5.818 1.00 40.34 C ATOM 1771 O GLN A 923 18.906 -20.363 -5.819 1.00 43.07 O ATOM 1772 CB GLN A 923 21.287 -19.525 -3.818 1.00 40.44 C ATOM 1773 CG GLN A 923 22.142 -20.415 -2.962 1.00 43.44 C ATOM 1774 CD GLN A 923 22.659 -19.733 -1.732 1.00 49.08 C ATOM 1775 OE1 GLN A 923 22.636 -18.528 -1.620 1.00 53.53 O ATOM 1776 NE2 GLN A 923 23.122 -20.515 -0.801 1.00 48.47 N ATOM 1777 HE22 GLN A 923 23.122 -21.546 -0.940 1.00 0.00 H ATOM 1778 HE21 GLN A 923 23.492 -20.109 0.082 1.00 0.00 H ATOM 1779 H GLN A 923 22.969 -18.954 -5.627 1.00 0.00 H ATOM 1780 N LEU A 924 19.703 -18.357 -6.260 1.00 39.44 N ATOM 1781 CA LEU A 924 18.509 -17.837 -6.883 1.00 36.88 C ATOM 1782 C LEU A 924 18.229 -18.465 -8.259 1.00 34.42 C ATOM 1783 O LEU A 924 17.120 -18.820 -8.555 1.00 34.04 O ATOM 1784 CB LEU A 924 18.526 -16.295 -6.923 1.00 36.13 C ATOM 1785 CG LEU A 924 18.687 -15.511 -5.625 1.00 38.75 C ATOM 1786 CD1 LEU A 924 18.617 -14.012 -5.814 1.00 38.09 C ATOM 1787 CD2 LEU A 924 17.768 -15.961 -4.509 1.00 34.63 C ATOM 1788 H LEU A 924 20.521 -17.724 -6.154 1.00 0.00 H ATOM 1789 N THR A 925 19.250 -18.602 -9.087 1.00 34.67 N ATOM 1790 CA THR A 925 19.106 -19.211 -10.422 1.00 38.65 C ATOM 1791 C THR A 925 18.662 -20.679 -10.346 1.00 38.30 C ATOM 1792 O THR A 925 17.919 -21.156 -11.179 1.00 44.21 O ATOM 1793 CB THR A 925 20.283 -18.945 -11.408 1.00 37.04 C ATOM 1794 OG1 THR A 925 21.511 -19.395 -10.862 1.00 39.20 O ATOM 1795 CG2 THR A 925 20.370 -17.501 -11.721 1.00 35.64 C ATOM 1796 HG1 THR A 925 21.690 -18.915 -10.015 1.00 0.00 H ATOM 1797 H THR A 925 20.188 -18.268 -8.786 1.00 0.00 H ATOM 1798 N LYS A 926 19.151 -21.343 -9.319 1.00 37.29 N ATOM 1799 CA LYS A 926 18.834 -22.698 -8.980 1.00 42.98 C ATOM 1800 C LYS A 926 17.382 -22.834 -8.537 1.00 42.12 C ATOM 1801 O LYS A 926 16.713 -23.765 -8.906 1.00 42.73 O ATOM 1802 CB LYS A 926 19.798 -23.166 -7.906 1.00 49.92 C ATOM 1803 CG LYS A 926 19.959 -24.654 -7.807 1.00 61.92 C ATOM 1804 CD LYS A 926 20.763 -25.212 -8.967 1.00 64.10 C ATOM 1805 CE LYS A 926 20.946 -26.707 -8.793 1.00 65.37 C ATOM 1806 NZ LYS A 926 21.659 -27.393 -9.904 1.00 61.07 N ATOM 1807 HZ1 LYS A 926 21.129 -27.261 -10.789 1.00 0.00 H ATOM 1808 HZ2 LYS A 926 22.611 -26.988 -10.005 1.00 0.00 H ATOM 1809 HZ3 LYS A 926 21.734 -28.408 -9.692 1.00 0.00 H ATOM 1810 H LYS A 926 19.823 -20.842 -8.703 1.00 0.00 H ATOM 1811 N LEU A 927 16.920 -21.874 -7.748 1.00 43.56 N ATOM 1812 CA LEU A 927 15.550 -21.817 -7.292 1.00 42.15 C ATOM 1813 C LEU A 927 14.620 -21.644 -8.518 1.00 42.91 C ATOM 1814 O LEU A 927 13.568 -22.235 -8.582 1.00 41.31 O ATOM 1815 CB LEU A 927 15.360 -20.733 -6.227 1.00 38.04 C ATOM 1816 CG LEU A 927 13.972 -20.453 -5.675 1.00 39.84 C ATOM 1817 CD1 LEU A 927 13.988 -19.723 -4.360 1.00 40.94 C ATOM 1818 CD2 LEU A 927 13.089 -19.702 -6.647 1.00 46.90 C ATOM 1819 H LEU A 927 17.575 -21.126 -7.443 1.00 0.00 H ATOM 1820 N LEU A 928 15.044 -20.856 -9.497 1.00 36.67 N ATOM 1821 CA LEU A 928 14.262 -20.678 -10.707 1.00 39.61 C ATOM 1822 C LEU A 928 14.121 -22.000 -11.503 1.00 41.12 C ATOM 1823 O LEU A 928 13.100 -22.282 -12.074 1.00 34.58 O ATOM 1824 CB LEU A 928 14.759 -19.495 -11.559 1.00 38.52 C ATOM 1825 CG LEU A 928 14.617 -18.092 -10.950 1.00 39.72 C ATOM 1826 CD1 LEU A 928 15.440 -16.998 -11.585 1.00 36.47 C ATOM 1827 CD2 LEU A 928 13.217 -17.620 -10.602 1.00 39.42 C ATOM 1828 H LEU A 928 15.951 -20.358 -9.396 1.00 0.00 H ATOM 1829 N ASP A 929 15.180 -22.785 -11.544 1.00 43.38 N ATOM 1830 CA ASP A 929 15.165 -24.077 -12.211 1.00 47.04 C ATOM 1831 C ASP A 929 14.247 -25.068 -11.502 1.00 48.26 C ATOM 1832 O ASP A 929 13.515 -25.805 -12.125 1.00 51.88 O ATOM 1833 CB ASP A 929 16.574 -24.651 -12.297 1.00 51.00 C ATOM 1834 CG ASP A 929 17.441 -23.960 -13.309 1.00 52.46 C ATOM 1835 OD1 ASP A 929 17.002 -23.080 -14.047 1.00 51.87 O ATOM 1836 OD2 ASP A 929 18.609 -24.303 -13.358 1.00 62.84 O ATOM 1837 H ASP A 929 16.057 -22.469 -11.083 1.00 0.00 H ATOM 1838 N SER A 930 14.309 -25.071 -10.184 1.00 46.91 N ATOM 1839 CA SER A 930 13.490 -25.931 -9.363 1.00 48.62 C ATOM 1840 C SER A 930 11.997 -25.608 -9.492 1.00 54.47 C ATOM 1841 O SER A 930 11.159 -26.478 -9.322 1.00 58.96 O ATOM 1842 CB SER A 930 14.009 -26.004 -7.928 1.00 54.21 C ATOM 1843 OG SER A 930 13.560 -24.973 -7.111 1.00 62.16 O ATOM 1844 HG SER A 930 13.855 -24.105 -7.485 1.00 0.00 H ATOM 1845 H SER A 930 14.977 -24.426 -9.716 1.00 0.00 H ATOM 1846 N MET A 931 11.713 -24.337 -9.779 1.00 56.39 N ATOM 1847 CA MET A 931 10.383 -23.809 -9.987 1.00 51.02 C ATOM 1848 C MET A 931 9.802 -24.476 -11.212 1.00 54.05 C ATOM 1849 O MET A 931 8.674 -24.892 -11.237 1.00 56.16 O ATOM 1850 CB MET A 931 10.464 -22.306 -10.280 1.00 57.85 C ATOM 1851 CG MET A 931 10.354 -21.358 -9.101 1.00 54.78 C ATOM 1852 SD MET A 931 8.711 -21.261 -8.397 1.00 65.22 S ATOM 1853 CE MET A 931 7.815 -20.697 -9.818 1.00 58.90 C ATOM 1854 H MET A 931 12.510 -23.674 -9.859 1.00 0.00 H ATOM 1855 N HIS A 932 10.617 -24.558 -12.243 1.00 49.64 N ATOM 1856 CA HIS A 932 10.216 -25.149 -13.493 1.00 51.16 C ATOM 1857 C HIS A 932 9.849 -26.639 -13.390 1.00 49.33 C ATOM 1858 O HIS A 932 8.959 -27.107 -14.054 1.00 40.04 O ATOM 1859 CB HIS A 932 11.213 -24.784 -14.584 1.00 53.62 C ATOM 1860 CG HIS A 932 11.196 -23.324 -14.917 1.00 66.25 C ATOM 1861 ND1 HIS A 932 12.292 -22.507 -14.763 1.00 59.60 N ATOM 1862 CD2 HIS A 932 10.193 -22.521 -15.350 1.00 59.52 C ATOM 1863 CE1 HIS A 932 11.972 -21.276 -15.096 1.00 51.11 C ATOM 1864 NE2 HIS A 932 10.705 -21.258 -15.458 1.00 51.84 N ATOM 1865 H HIS A 932 11.583 -24.183 -12.151 1.00 0.00 H ATOM 1866 N ASP A 933 10.552 -27.362 -12.546 1.00 47.12 N ATOM 1867 CA ASP A 933 10.248 -28.747 -12.342 1.00 51.02 C ATOM 1868 C ASP A 933 8.871 -28.853 -11.718 1.00 48.93 C ATOM 1869 O ASP A 933 8.054 -29.612 -12.154 1.00 50.79 O ATOM 1870 CB ASP A 933 11.325 -29.369 -11.468 1.00 57.14 C ATOM 1871 CG ASP A 933 12.717 -29.117 -12.003 1.00 59.96 C ATOM 1872 OD1 ASP A 933 12.846 -28.736 -13.173 1.00 60.83 O ATOM 1873 OD2 ASP A 933 13.685 -29.289 -11.263 1.00 61.30 O ATOM 1874 H ASP A 933 11.336 -26.924 -12.022 1.00 0.00 H ATOM 1875 N LEU A 934 8.623 -28.047 -10.705 1.00 45.15 N ATOM 1876 CA LEU A 934 7.339 -28.001 -10.047 1.00 42.09 C ATOM 1877 C LEU A 934 6.208 -27.522 -10.969 1.00 39.38 C ATOM 1878 O LEU A 934 5.132 -28.063 -10.942 1.00 37.98 O ATOM 1879 CB LEU A 934 7.445 -27.113 -8.819 1.00 41.07 C ATOM 1880 CG LEU A 934 6.216 -26.835 -7.958 1.00 48.24 C ATOM 1881 CD1 LEU A 934 5.534 -28.101 -7.487 1.00 44.21 C ATOM 1882 CD2 LEU A 934 6.547 -25.944 -6.782 1.00 48.19 C ATOM 1883 H LEU A 934 9.381 -27.420 -10.367 1.00 0.00 H ATOM 1884 N VAL A 935 6.492 -26.505 -11.768 1.00 36.41 N ATOM 1885 CA VAL A 935 5.555 -25.897 -12.700 1.00 34.23 C ATOM 1886 C VAL A 935 5.103 -26.880 -13.768 1.00 36.91 C ATOM 1887 O VAL A 935 3.966 -26.904 -14.153 1.00 38.75 O ATOM 1888 CB VAL A 935 6.069 -24.551 -13.275 1.00 30.20 C ATOM 1889 CG1 VAL A 935 5.283 -24.133 -14.498 1.00 27.34 C ATOM 1890 CG2 VAL A 935 5.936 -23.478 -12.232 1.00 26.22 C ATOM 1891 H VAL A 935 7.454 -26.113 -11.726 1.00 0.00 H ATOM 1892 N SER A 936 6.035 -27.697 -14.203 1.00 38.08 N ATOM 1893 CA SER A 936 5.803 -28.713 -15.192 1.00 44.08 C ATOM 1894 C SER A 936 4.787 -29.757 -14.715 1.00 44.19 C ATOM 1895 O SER A 936 3.940 -30.195 -15.473 1.00 42.37 O ATOM 1896 CB SER A 936 7.137 -29.354 -15.538 1.00 49.99 C ATOM 1897 OG SER A 936 7.034 -30.183 -16.654 1.00 65.12 O ATOM 1898 HG SER A 936 6.379 -30.902 -16.470 1.00 0.00 H ATOM 1899 H SER A 936 6.993 -27.603 -13.810 1.00 0.00 H ATOM 1900 N ASP A 937 4.913 -30.139 -13.452 1.00 42.38 N ATOM 1901 CA ASP A 937 4.012 -31.047 -12.777 1.00 39.67 C ATOM 1902 C ASP A 937 2.625 -30.435 -12.612 1.00 40.02 C ATOM 1903 O ASP A 937 1.643 -31.108 -12.754 1.00 41.70 O ATOM 1904 CB ASP A 937 4.591 -31.513 -11.443 1.00 38.83 C ATOM 1905 CG ASP A 937 5.859 -32.291 -11.610 1.00 46.03 C ATOM 1906 OD1 ASP A 937 6.008 -32.948 -12.642 1.00 41.23 O ATOM 1907 OD2 ASP A 937 6.714 -32.245 -10.712 1.00 47.16 O ATOM 1908 H ASP A 937 5.715 -29.760 -12.909 1.00 0.00 H ATOM 1909 N LEU A 938 2.562 -29.151 -12.298 1.00 38.06 N ATOM 1910 CA LEU A 938 1.288 -28.471 -12.165 1.00 40.20 C ATOM 1911 C LEU A 938 0.543 -28.431 -13.505 1.00 40.98 C ATOM 1912 O LEU A 938 -0.638 -28.633 -13.541 1.00 46.54 O ATOM 1913 CB LEU A 938 1.421 -27.063 -11.558 1.00 38.02 C ATOM 1914 CG LEU A 938 1.896 -26.948 -10.117 1.00 40.61 C ATOM 1915 CD1 LEU A 938 2.718 -25.709 -9.845 1.00 33.87 C ATOM 1916 CD2 LEU A 938 0.833 -27.205 -9.059 1.00 36.87 C ATOM 1917 H LEU A 938 3.443 -28.620 -12.144 1.00 0.00 H ATOM 1918 N LEU A 939 1.260 -28.165 -14.587 1.00 41.23 N ATOM 1919 CA LEU A 939 0.683 -28.107 -15.918 1.00 45.38 C ATOM 1920 C LEU A 939 0.125 -29.454 -16.364 1.00 46.64 C ATOM 1921 O LEU A 939 -0.894 -29.507 -16.978 1.00 46.57 O ATOM 1922 CB LEU A 939 1.665 -27.516 -16.936 1.00 44.24 C ATOM 1923 CG LEU A 939 2.029 -26.044 -16.760 1.00 45.05 C ATOM 1924 CD1 LEU A 939 3.354 -25.707 -17.386 1.00 41.79 C ATOM 1925 CD2 LEU A 939 0.937 -25.104 -17.235 1.00 45.19 C ATOM 1926 H LEU A 939 2.279 -27.990 -14.478 1.00 0.00 H ATOM 1927 N GLU A 940 0.819 -30.527 -16.019 1.00 51.14 N ATOM 1928 CA GLU A 940 0.426 -31.869 -16.344 1.00 47.33 C ATOM 1929 C GLU A 940 -0.891 -32.154 -15.687 1.00 48.28 C ATOM 1930 O GLU A 940 -1.776 -32.707 -16.297 1.00 49.28 O ATOM 1931 CB GLU A 940 1.440 -32.842 -15.759 1.00 50.61 C ATOM 1932 CG GLU A 940 2.359 -33.523 -16.750 1.00 54.97 C ATOM 1933 CD GLU A 940 2.681 -34.951 -16.371 1.00 69.43 C ATOM 1934 OE1 GLU A 940 3.562 -35.180 -15.530 1.00 66.67 O ATOM 1935 OE2 GLU A 940 2.044 -35.860 -16.915 1.00 74.95 O ATOM 1936 H GLU A 940 1.699 -30.390 -15.482 1.00 0.00 H ATOM 1937 N PHE A 941 -0.996 -31.794 -14.421 1.00 40.00 N ATOM 1938 CA PHE A 941 -2.217 -31.983 -13.695 1.00 42.76 C ATOM 1939 C PHE A 941 -3.361 -31.103 -14.188 1.00 46.75 C ATOM 1940 O PHE A 941 -4.484 -31.532 -14.255 1.00 52.46 O ATOM 1941 CB PHE A 941 -2.006 -31.816 -12.200 1.00 42.70 C ATOM 1942 CG PHE A 941 -3.223 -32.108 -11.395 1.00 44.62 C ATOM 1943 CD1 PHE A 941 -3.999 -33.211 -11.663 1.00 42.85 C ATOM 1944 CD2 PHE A 941 -3.614 -31.264 -10.388 1.00 44.36 C ATOM 1945 CE1 PHE A 941 -5.121 -33.478 -10.922 1.00 42.07 C ATOM 1946 CE2 PHE A 941 -4.740 -31.521 -9.648 1.00 41.57 C ATOM 1947 CZ PHE A 941 -5.494 -32.630 -9.913 1.00 40.42 C ATOM 1948 H PHE A 941 -0.178 -31.366 -13.942 1.00 0.00 H ATOM 1949 N CYS A 942 -3.038 -29.860 -14.499 1.00 47.51 N ATOM 1950 CA CYS A 942 -3.992 -28.896 -14.985 1.00 50.01 C ATOM 1951 C CYS A 942 -4.539 -29.319 -16.345 1.00 48.46 C ATOM 1952 O CYS A 942 -5.707 -29.183 -16.603 1.00 41.18 O ATOM 1953 CB CYS A 942 -3.364 -27.495 -14.981 1.00 50.01 C ATOM 1954 SG CYS A 942 -4.291 -26.120 -15.673 1.00 58.40 S ATOM 1955 H CYS A 942 -2.047 -29.563 -14.388 1.00 0.00 H ATOM 1956 N PHE A 943 -3.653 -29.845 -17.177 1.00 49.89 N ATOM 1957 CA PHE A 943 -3.953 -30.330 -18.515 1.00 55.98 C ATOM 1958 C PHE A 943 -4.910 -31.517 -18.516 1.00 59.67 C ATOM 1959 O PHE A 943 -5.798 -31.596 -19.337 1.00 58.36 O ATOM 1960 CB PHE A 943 -2.665 -30.712 -19.248 1.00 57.02 C ATOM 1961 CG PHE A 943 -1.832 -29.541 -19.670 1.00 52.45 C ATOM 1962 CD1 PHE A 943 -2.355 -28.276 -19.686 1.00 52.02 C ATOM 1963 CD2 PHE A 943 -0.528 -29.714 -20.029 1.00 50.07 C ATOM 1964 CE1 PHE A 943 -1.588 -27.211 -20.068 1.00 54.36 C ATOM 1965 CE2 PHE A 943 0.245 -28.658 -20.417 1.00 49.85 C ATOM 1966 CZ PHE A 943 -0.286 -27.405 -20.437 1.00 51.89 C ATOM 1967 H PHE A 943 -2.669 -29.917 -16.849 1.00 0.00 H ATOM 1968 N TYR A 944 -4.680 -32.441 -17.594 1.00 54.85 N ATOM 1969 CA TYR A 944 -5.495 -33.617 -17.415 1.00 51.96 C ATOM 1970 C TYR A 944 -6.910 -33.248 -16.958 1.00 53.77 C ATOM 1971 O TYR A 944 -7.899 -33.757 -17.455 1.00 50.96 O ATOM 1972 CB TYR A 944 -4.791 -34.542 -16.425 1.00 52.49 C ATOM 1973 CG TYR A 944 -5.666 -35.525 -15.709 1.00 58.53 C ATOM 1974 CD1 TYR A 944 -5.998 -36.741 -16.294 1.00 63.64 C ATOM 1975 CD2 TYR A 944 -6.137 -35.259 -14.442 1.00 52.29 C ATOM 1976 CE1 TYR A 944 -6.790 -37.650 -15.643 1.00 54.38 C ATOM 1977 CE2 TYR A 944 -6.930 -36.154 -13.792 1.00 54.55 C ATOM 1978 CZ TYR A 944 -7.255 -37.345 -14.401 1.00 58.26 C ATOM 1979 OH TYR A 944 -8.035 -38.252 -13.760 1.00 65.84 O ATOM 1980 HH TYR A 944 -8.165 -39.043 -14.341 1.00 0.00 H ATOM 1981 H TYR A 944 -3.864 -32.310 -16.963 1.00 0.00 H ATOM 1982 N THR A 945 -6.999 -32.382 -15.976 1.00 47.42 N ATOM 1983 CA THR A 945 -8.287 -31.977 -15.483 1.00 44.17 C ATOM 1984 C THR A 945 -9.049 -31.217 -16.547 1.00 49.87 C ATOM 1985 O THR A 945 -10.249 -31.315 -16.624 1.00 49.01 O ATOM 1986 CB THR A 945 -8.223 -31.305 -14.116 1.00 45.83 C ATOM 1987 OG1 THR A 945 -7.589 -30.050 -14.227 1.00 49.80 O ATOM 1988 CG2 THR A 945 -7.462 -32.159 -13.178 1.00 41.97 C ATOM 1989 HG1 THR A 945 -7.552 -29.621 -13.336 1.00 0.00 H ATOM 1990 H THR A 945 -6.135 -31.987 -15.553 1.00 0.00 H ATOM 1991 N PHE A 946 -8.311 -30.468 -17.363 1.00 53.44 N ATOM 1992 CA PHE A 946 -8.859 -29.712 -18.461 1.00 52.50 C ATOM 1993 C PHE A 946 -9.469 -30.633 -19.518 1.00 58.13 C ATOM 1994 O PHE A 946 -10.552 -30.403 -20.015 1.00 59.30 O ATOM 1995 CB PHE A 946 -7.760 -28.866 -19.084 1.00 47.89 C ATOM 1996 CG PHE A 946 -8.252 -27.909 -20.110 1.00 49.40 C ATOM 1997 CD1 PHE A 946 -8.949 -26.783 -19.749 1.00 48.67 C ATOM 1998 CD2 PHE A 946 -8.031 -28.144 -21.436 1.00 49.38 C ATOM 1999 CE1 PHE A 946 -9.402 -25.906 -20.707 1.00 52.75 C ATOM 2000 CE2 PHE A 946 -8.486 -27.277 -22.395 1.00 48.59 C ATOM 2001 CZ PHE A 946 -9.170 -26.156 -22.036 1.00 47.66 C ATOM 2002 H PHE A 946 -7.285 -30.426 -17.200 1.00 0.00 H ATOM 2003 N ARG A 947 -8.713 -31.665 -19.839 1.00 62.90 N ATOM 2004 CA ARG A 947 -9.063 -32.705 -20.763 1.00 64.30 C ATOM 2005 C ARG A 947 -10.257 -33.518 -20.268 1.00 68.38 C ATOM 2006 O ARG A 947 -11.131 -33.880 -21.035 1.00 71.11 O ATOM 2007 CB ARG A 947 -7.875 -33.648 -20.871 1.00 65.76 C ATOM 2008 CG ARG A 947 -7.414 -33.967 -22.265 1.00 75.17 C ATOM 2009 CD ARG A 947 -5.921 -33.795 -22.389 1.00 79.03 C ATOM 2010 NE ARG A 947 -5.200 -34.453 -21.316 1.00 79.19 N ATOM 2011 CZ ARG A 947 -3.881 -34.426 -21.190 1.00 78.47 C ATOM 2012 NH1 ARG A 947 -3.161 -33.771 -22.086 1.00 72.86 N ATOM 2013 NH2 ARG A 947 -3.289 -35.048 -20.175 1.00 68.40 N ATOM 2014 HE ARG A 947 -5.750 -34.976 -20.605 1.00 0.00 H ATOM 2015 HH12 ARG A 947 -2.125 -33.741 -22.000 1.00 0.00 H ATOM 2016 HH11 ARG A 947 -3.631 -33.286 -22.877 1.00 0.00 H ATOM 2017 HH22 ARG A 947 -2.253 -35.023 -20.082 1.00 0.00 H ATOM 2018 HH21 ARG A 947 -3.861 -35.560 -19.474 1.00 0.00 H ATOM 2019 H ARG A 947 -7.781 -31.731 -19.382 1.00 0.00 H ATOM 2020 N GLU A 948 -10.259 -33.801 -18.975 1.00 65.02 N ATOM 2021 CA GLU A 948 -11.269 -34.612 -18.315 1.00 64.51 C ATOM 2022 C GLU A 948 -12.254 -33.795 -17.545 1.00 62.02 C ATOM 2023 O GLU A 948 -12.834 -34.274 -16.595 1.00 60.67 O ATOM 2024 CB GLU A 948 -10.617 -35.615 -17.371 1.00 67.37 C ATOM 2025 CG GLU A 948 -9.929 -36.769 -18.077 1.00 78.85 C ATOM 2026 CD GLU A 948 -10.881 -37.879 -18.477 1.00 75.84 C ATOM 2027 OE1 GLU A 948 -11.981 -37.966 -17.915 1.00 68.28 O ATOM 2028 OE2 GLU A 948 -10.520 -38.668 -19.347 1.00 74.78 O ATOM 2029 H GLU A 948 -9.487 -33.418 -18.393 1.00 0.00 H ATOM 2030 N SER A 949 -12.451 -32.568 -17.995 1.00 63.69 N ATOM 2031 CA SER A 949 -13.279 -31.581 -17.331 1.00 60.34 C ATOM 2032 C SER A 949 -14.734 -31.874 -17.104 1.00 66.60 C ATOM 2033 O SER A 949 -15.245 -31.589 -16.043 1.00 65.63 O ATOM 2034 CB SER A 949 -13.189 -30.282 -18.121 1.00 64.18 C ATOM 2035 OG SER A 949 -13.418 -29.162 -17.302 1.00 74.80 O ATOM 2036 HG SER A 949 -12.740 -29.138 -16.581 1.00 0.00 H ATOM 2037 H SER A 949 -11.982 -32.293 -18.882 1.00 0.00 H ATOM 2038 N HIS A 950 -15.416 -32.396 -18.104 1.00 80.41 N ATOM 2039 CA HIS A 950 -16.811 -32.727 -17.920 1.00 84.12 C ATOM 2040 C HIS A 950 -17.029 -33.882 -16.967 1.00 83.68 C ATOM 2041 O HIS A 950 -17.877 -33.814 -16.106 1.00 84.13 O ATOM 2042 CB HIS A 950 -17.483 -32.979 -19.253 1.00 86.09 C ATOM 2043 CG HIS A 950 -17.945 -31.729 -19.914 1.00 95.21 C ATOM 2044 ND1 HIS A 950 -18.208 -31.651 -21.261 1.00103.67 N ATOM 2045 CD2 HIS A 950 -18.166 -30.495 -19.414 1.00 89.91 C ATOM 2046 CE1 HIS A 950 -18.591 -30.425 -21.557 1.00102.02 C ATOM 2047 NE2 HIS A 950 -18.574 -29.705 -20.453 1.00 96.27 N ATOM 2048 H HIS A 950 -14.953 -32.569 -19.019 1.00 0.00 H ATOM 2049 N ALA A 951 -16.263 -34.949 -17.135 1.00 81.27 N ATOM 2050 CA ALA A 951 -16.401 -36.091 -16.257 1.00 76.25 C ATOM 2051 C ALA A 951 -16.037 -35.708 -14.848 1.00 76.17 C ATOM 2052 O ALA A 951 -16.710 -36.102 -13.906 1.00 83.37 O ATOM 2053 CB ALA A 951 -15.519 -37.226 -16.722 1.00 75.34 C ATOM 2054 H ALA A 951 -15.560 -34.966 -17.901 1.00 0.00 H ATOM 2055 N LEU A 952 -14.944 -34.966 -14.716 1.00 74.87 N ATOM 2056 CA LEU A 952 -14.446 -34.482 -13.428 1.00 67.49 C ATOM 2057 C LEU A 952 -15.301 -33.453 -12.726 1.00 62.02 C ATOM 2058 O LEU A 952 -15.409 -33.477 -11.525 1.00 69.04 O ATOM 2059 CB LEU A 952 -13.002 -33.982 -13.520 1.00 62.20 C ATOM 2060 CG LEU A 952 -11.919 -34.939 -14.025 1.00 62.29 C ATOM 2061 CD1 LEU A 952 -10.574 -34.255 -14.234 1.00 55.57 C ATOM 2062 CD2 LEU A 952 -11.784 -36.148 -13.135 1.00 56.09 C ATOM 2063 H LEU A 952 -14.413 -34.715 -15.574 1.00 0.00 H ATOM 2064 N LYS A 953 -15.911 -32.560 -13.489 1.00 60.96 N ATOM 2065 CA LYS A 953 -16.710 -31.460 -12.956 1.00 64.32 C ATOM 2066 C LYS A 953 -15.862 -30.263 -12.488 1.00 64.43 C ATOM 2067 O LYS A 953 -16.306 -29.440 -11.701 1.00 64.18 O ATOM 2068 CB LYS A 953 -17.649 -31.915 -11.852 1.00 70.73 C ATOM 2069 CG LYS A 953 -19.066 -32.204 -12.328 1.00 83.27 C ATOM 2070 CD LYS A 953 -19.668 -33.441 -11.675 1.00 85.64 C ATOM 2071 CE LYS A 953 -21.120 -33.641 -12.087 1.00 81.58 C ATOM 2072 NZ LYS A 953 -22.120 -33.196 -11.081 1.00 70.62 N ATOM 2073 HZ1 LYS A 953 -21.982 -33.728 -10.198 1.00 0.00 H ATOM 2074 HZ2 LYS A 953 -21.997 -32.180 -10.898 1.00 0.00 H ATOM 2075 HZ3 LYS A 953 -23.078 -33.370 -11.446 1.00 0.00 H ATOM 2076 H LYS A 953 -15.816 -32.646 -14.521 1.00 0.00 H ATOM 2077 N VAL A 954 -14.646 -30.168 -13.001 1.00 59.68 N ATOM 2078 CA VAL A 954 -13.786 -29.065 -12.636 1.00 61.13 C ATOM 2079 C VAL A 954 -13.931 -27.996 -13.690 1.00 61.12 C ATOM 2080 O VAL A 954 -13.813 -28.257 -14.869 1.00 62.33 O ATOM 2081 CB VAL A 954 -12.327 -29.486 -12.501 1.00 63.90 C ATOM 2082 CG1 VAL A 954 -11.481 -28.265 -12.219 1.00 68.09 C ATOM 2083 CG2 VAL A 954 -12.183 -30.521 -11.402 1.00 57.59 C ATOM 2084 H VAL A 954 -14.308 -30.890 -13.669 1.00 0.00 H ATOM 2085 N GLU A 955 -14.220 -26.790 -13.254 1.00 59.50 N ATOM 2086 CA GLU A 955 -14.458 -25.707 -14.180 1.00 63.29 C ATOM 2087 C GLU A 955 -13.394 -24.605 -14.302 1.00 60.99 C ATOM 2088 O GLU A 955 -12.897 -24.113 -13.326 1.00 69.14 O ATOM 2089 CB GLU A 955 -15.848 -25.149 -13.918 1.00 70.84 C ATOM 2090 CG GLU A 955 -16.922 -26.115 -14.395 1.00 85.16 C ATOM 2091 CD GLU A 955 -18.300 -25.824 -13.846 1.00 89.50 C ATOM 2092 OE1 GLU A 955 -18.428 -25.410 -12.674 1.00 92.21 O ATOM 2093 OE2 GLU A 955 -19.261 -26.023 -14.597 1.00 92.63 O ATOM 2094 H GLU A 955 -14.278 -26.614 -12.231 1.00 0.00 H ATOM 2095 N PHE A 956 -13.067 -24.262 -15.536 1.00 56.92 N ATOM 2096 CA PHE A 956 -12.063 -23.275 -15.872 1.00 51.88 C ATOM 2097 C PHE A 956 -12.654 -22.009 -16.454 1.00 51.43 C ATOM 2098 O PHE A 956 -13.554 -22.074 -17.259 1.00 57.40 O ATOM 2099 CB PHE A 956 -11.092 -23.845 -16.907 1.00 49.42 C ATOM 2100 CG PHE A 956 -10.251 -24.986 -16.422 1.00 45.71 C ATOM 2101 CD1 PHE A 956 -10.770 -26.251 -16.330 1.00 44.88 C ATOM 2102 CD2 PHE A 956 -8.927 -24.794 -16.100 1.00 45.67 C ATOM 2103 CE1 PHE A 956 -9.992 -27.303 -15.898 1.00 49.34 C ATOM 2104 CE2 PHE A 956 -8.139 -25.846 -15.673 1.00 44.33 C ATOM 2105 CZ PHE A 956 -8.674 -27.105 -15.578 1.00 44.58 C ATOM 2106 H PHE A 956 -13.565 -24.733 -16.318 1.00 0.00 H ATOM 2107 N PRO A 957 -12.148 -20.846 -16.068 1.00 51.49 N ATOM 2108 CA PRO A 957 -12.675 -19.596 -16.616 1.00 46.15 C ATOM 2109 C PRO A 957 -12.309 -19.435 -18.089 1.00 50.55 C ATOM 2110 O PRO A 957 -11.317 -19.938 -18.556 1.00 47.19 O ATOM 2111 CB PRO A 957 -12.058 -18.521 -15.733 1.00 42.15 C ATOM 2112 CG PRO A 957 -10.866 -19.136 -15.132 1.00 45.07 C ATOM 2113 CD PRO A 957 -10.996 -20.619 -15.185 1.00 47.30 C ATOM 2114 N ALA A 958 -13.117 -18.666 -18.796 1.00 59.33 N ATOM 2115 CA ALA A 958 -12.984 -18.480 -20.229 1.00 58.85 C ATOM 2116 C ALA A 958 -11.644 -17.959 -20.720 1.00 57.97 C ATOM 2117 O ALA A 958 -11.140 -18.448 -21.702 1.00 55.53 O ATOM 2118 CB ALA A 958 -14.099 -17.582 -20.722 1.00 56.36 C ATOM 2119 H ALA A 958 -13.886 -18.170 -18.302 1.00 0.00 H ATOM 2120 N MET A 959 -11.065 -16.980 -20.051 1.00 64.56 N ATOM 2121 CA MET A 959 -9.775 -16.450 -20.472 1.00 63.30 C ATOM 2122 C MET A 959 -8.717 -17.549 -20.384 1.00 57.32 C ATOM 2123 O MET A 959 -7.860 -17.676 -21.231 1.00 58.22 O ATOM 2124 CB MET A 959 -9.428 -15.231 -19.634 1.00 69.83 C ATOM 2125 CG MET A 959 -7.966 -14.984 -19.389 1.00 84.13 C ATOM 2126 SD MET A 959 -7.261 -13.928 -20.646 1.00 97.25 S ATOM 2127 CE MET A 959 -8.327 -12.513 -20.567 1.00 96.63 C ATOM 2128 H MET A 959 -11.535 -16.582 -19.213 1.00 0.00 H ATOM 2129 N LEU A 960 -8.815 -18.332 -19.328 1.00 55.49 N ATOM 2130 CA LEU A 960 -7.958 -19.467 -19.070 1.00 46.38 C ATOM 2131 C LEU A 960 -8.120 -20.634 -20.039 1.00 46.72 C ATOM 2132 O LEU A 960 -7.163 -21.266 -20.394 1.00 46.76 O ATOM 2133 CB LEU A 960 -8.111 -19.921 -17.629 1.00 47.53 C ATOM 2134 CG LEU A 960 -6.821 -20.437 -17.038 1.00 45.38 C ATOM 2135 CD1 LEU A 960 -5.904 -19.326 -16.592 1.00 43.32 C ATOM 2136 CD2 LEU A 960 -7.133 -21.377 -15.912 1.00 46.57 C ATOM 2137 H LEU A 960 -9.559 -18.119 -18.634 1.00 0.00 H ATOM 2138 N VAL A 961 -9.349 -20.883 -20.459 1.00 49.25 N ATOM 2139 CA VAL A 961 -9.677 -21.950 -21.379 1.00 46.15 C ATOM 2140 C VAL A 961 -8.953 -21.662 -22.662 1.00 47.02 C ATOM 2141 O VAL A 961 -8.458 -22.548 -23.314 1.00 58.09 O ATOM 2142 CB VAL A 961 -11.205 -22.078 -21.624 1.00 48.62 C ATOM 2143 CG1 VAL A 961 -11.521 -23.078 -22.727 1.00 44.89 C ATOM 2144 CG2 VAL A 961 -11.927 -22.477 -20.367 1.00 43.21 C ATOM 2145 H VAL A 961 -10.121 -20.280 -20.109 1.00 0.00 H ATOM 2146 N GLU A 962 -8.897 -20.398 -23.011 1.00 45.31 N ATOM 2147 CA GLU A 962 -8.213 -19.993 -24.200 1.00 50.77 C ATOM 2148 C GLU A 962 -6.709 -20.206 -24.143 1.00 53.49 C ATOM 2149 O GLU A 962 -6.099 -20.614 -25.117 1.00 54.25 O ATOM 2150 CB GLU A 962 -8.575 -18.568 -24.552 1.00 49.38 C ATOM 2151 CG GLU A 962 -9.718 -18.489 -25.519 1.00 55.00 C ATOM 2152 CD GLU A 962 -10.259 -17.094 -25.662 1.00 64.15 C ATOM 2153 OE1 GLU A 962 -11.425 -16.953 -26.027 1.00 65.01 O ATOM 2154 OE2 GLU A 962 -9.516 -16.139 -25.430 1.00 65.50 O ATOM 2155 H GLU A 962 -9.357 -19.681 -22.414 1.00 0.00 H ATOM 2156 N ILE A 963 -6.120 -19.874 -23.003 1.00 54.77 N ATOM 2157 CA ILE A 963 -4.695 -20.028 -22.784 1.00 51.77 C ATOM 2158 C ILE A 963 -4.281 -21.497 -22.777 1.00 51.54 C ATOM 2159 O ILE A 963 -3.300 -21.871 -23.378 1.00 52.87 O ATOM 2160 CB ILE A 963 -4.277 -19.321 -21.459 1.00 53.25 C ATOM 2161 CG1 ILE A 963 -4.197 -17.808 -21.651 1.00 49.40 C ATOM 2162 CG2 ILE A 963 -2.976 -19.849 -20.868 1.00 47.07 C ATOM 2163 CD1 ILE A 963 -4.432 -17.029 -20.377 1.00 53.04 C ATOM 2164 H ILE A 963 -6.704 -19.487 -22.234 1.00 0.00 H ATOM 2165 N ILE A 964 -5.017 -22.302 -22.039 1.00 49.38 N ATOM 2166 CA ILE A 964 -4.730 -23.716 -21.906 1.00 45.56 C ATOM 2167 C ILE A 964 -4.878 -24.542 -23.192 1.00 49.93 C ATOM 2168 O ILE A 964 -4.030 -25.355 -23.489 1.00 43.10 O ATOM 2169 CB ILE A 964 -5.496 -24.307 -20.709 1.00 42.95 C ATOM 2170 CG1 ILE A 964 -4.983 -23.667 -19.420 1.00 42.80 C ATOM 2171 CG2 ILE A 964 -5.372 -25.806 -20.666 1.00 42.47 C ATOM 2172 CD1 ILE A 964 -5.872 -23.854 -18.220 1.00 47.33 C ATOM 2173 H ILE A 964 -5.835 -21.908 -21.532 1.00 0.00 H ATOM 2174 N SER A 965 -5.943 -24.298 -23.956 1.00 53.71 N ATOM 2175 CA SER A 965 -6.187 -25.030 -25.193 1.00 55.11 C ATOM 2176 C SER A 965 -5.056 -24.822 -26.172 1.00 56.00 C ATOM 2177 O SER A 965 -4.645 -25.738 -26.875 1.00 57.12 O ATOM 2178 CB SER A 965 -7.509 -24.646 -25.858 1.00 50.66 C ATOM 2179 OG SER A 965 -8.031 -23.447 -25.381 1.00 51.78 O ATOM 2180 HG SER A 965 -8.195 -23.524 -24.408 1.00 0.00 H ATOM 2181 H SER A 965 -6.619 -23.565 -23.661 1.00 0.00 H ATOM 2182 N ASP A 966 -4.585 -23.594 -26.237 1.00 54.97 N ATOM 2183 CA ASP A 966 -3.471 -23.262 -27.070 1.00 61.09 C ATOM 2184 C ASP A 966 -2.135 -23.853 -26.589 1.00 64.97 C ATOM 2185 O ASP A 966 -1.372 -24.407 -27.345 1.00 70.66 O ATOM 2186 CB ASP A 966 -3.368 -21.754 -27.124 1.00 69.21 C ATOM 2187 CG ASP A 966 -2.417 -21.281 -28.158 1.00 76.32 C ATOM 2188 OD1 ASP A 966 -1.740 -22.099 -28.780 1.00 75.47 O ATOM 2189 OD2 ASP A 966 -2.363 -20.069 -28.363 1.00 86.88 O ATOM 2190 H ASP A 966 -5.034 -22.848 -25.669 1.00 0.00 H ATOM 2191 N GLN A 967 -1.855 -23.693 -25.315 1.00 64.69 N ATOM 2192 CA GLN A 967 -0.633 -24.172 -24.693 1.00 56.18 C ATOM 2193 C GLN A 967 -0.409 -25.675 -24.634 1.00 55.86 C ATOM 2194 O GLN A 967 0.678 -26.146 -24.813 1.00 60.49 O ATOM 2195 CB GLN A 967 -0.547 -23.595 -23.279 1.00 56.42 C ATOM 2196 CG GLN A 967 0.641 -24.056 -22.465 1.00 59.58 C ATOM 2197 CD GLN A 967 0.533 -23.673 -21.011 1.00 61.27 C ATOM 2198 OE1 GLN A 967 -0.528 -23.748 -20.433 1.00 71.81 O ATOM 2199 NE2 GLN A 967 1.625 -23.259 -20.427 1.00 57.95 N ATOM 2200 HE22 GLN A 967 2.515 -23.211 -20.963 1.00 0.00 H ATOM 2201 HE21 GLN A 967 1.605 -22.978 -19.426 1.00 0.00 H ATOM 2202 H GLN A 967 -2.547 -23.196 -24.719 1.00 0.00 H ATOM 2203 N LEU A 968 -1.456 -26.425 -24.382 1.00 59.86 N ATOM 2204 CA LEU A 968 -1.342 -27.848 -24.179 1.00 63.20 C ATOM 2205 C LEU A 968 -0.734 -28.659 -25.318 1.00 64.81 C ATOM 2206 O LEU A 968 0.123 -29.488 -25.059 1.00 70.85 O ATOM 2207 CB LEU A 968 -2.738 -28.356 -23.871 1.00 67.77 C ATOM 2208 CG LEU A 968 -3.048 -29.681 -23.210 1.00 69.64 C ATOM 2209 CD1 LEU A 968 -4.229 -29.431 -22.311 1.00 68.73 C ATOM 2210 CD2 LEU A 968 -3.430 -30.676 -24.291 1.00 67.10 C ATOM 2211 H LEU A 968 -2.395 -25.980 -24.327 1.00 0.00 H ATOM 2212 N PRO A 969 -1.124 -28.433 -26.555 1.00 65.67 N ATOM 2213 CA PRO A 969 -0.508 -29.191 -27.637 1.00 68.47 C ATOM 2214 C PRO A 969 0.991 -28.914 -27.776 1.00 71.41 C ATOM 2215 O PRO A 969 1.762 -29.853 -27.890 1.00 68.52 O ATOM 2216 CB PRO A 969 -1.260 -28.704 -28.871 1.00 63.58 C ATOM 2217 CG PRO A 969 -1.984 -27.476 -28.438 1.00 61.79 C ATOM 2218 CD PRO A 969 -2.304 -27.707 -27.017 1.00 64.77 C ATOM 2219 N LYS A 970 1.402 -27.654 -27.737 1.00 69.08 N ATOM 2220 CA LYS A 970 2.813 -27.316 -27.865 1.00 65.47 C ATOM 2221 C LYS A 970 3.664 -27.802 -26.710 1.00 68.77 C ATOM 2222 O LYS A 970 4.852 -28.016 -26.856 1.00 76.07 O ATOM 2223 CB LYS A 970 3.014 -25.811 -28.027 1.00 66.50 C ATOM 2224 CG LYS A 970 1.755 -24.995 -28.237 1.00 71.00 C ATOM 2225 CD LYS A 970 2.027 -23.511 -28.042 1.00 72.74 C ATOM 2226 CE LYS A 970 1.865 -22.752 -29.344 1.00 71.21 C ATOM 2227 NZ LYS A 970 1.060 -21.524 -29.187 1.00 63.16 N ATOM 2228 HZ1 LYS A 970 0.111 -21.775 -28.842 1.00 0.00 H ATOM 2229 HZ2 LYS A 970 1.523 -20.892 -28.503 1.00 0.00 H ATOM 2230 HZ3 LYS A 970 0.980 -21.043 -30.106 1.00 0.00 H ATOM 2231 H LYS A 970 0.704 -26.893 -27.613 1.00 0.00 H ATOM 2232 N VAL A 971 3.051 -27.977 -25.555 1.00 72.06 N ATOM 2233 CA VAL A 971 3.760 -28.415 -24.365 1.00 68.80 C ATOM 2234 C VAL A 971 3.938 -29.914 -24.277 1.00 65.85 C ATOM 2235 O VAL A 971 5.039 -30.400 -24.150 1.00 69.16 O ATOM 2236 CB VAL A 971 3.047 -27.908 -23.093 1.00 69.27 C ATOM 2237 CG1 VAL A 971 3.642 -28.510 -21.824 1.00 66.22 C ATOM 2238 CG2 VAL A 971 3.078 -26.394 -23.039 1.00 66.36 C ATOM 2239 H VAL A 971 2.029 -27.796 -25.494 1.00 0.00 H ATOM 2240 N GLU A 972 2.842 -30.640 -24.300 1.00 65.70 N ATOM 2241 CA GLU A 972 2.913 -32.077 -24.186 1.00 68.23 C ATOM 2242 C GLU A 972 3.669 -32.641 -25.382 1.00 69.52 C ATOM 2243 O GLU A 972 4.175 -33.742 -25.354 1.00 67.60 O ATOM 2244 CB GLU A 972 1.513 -32.649 -24.039 1.00 74.16 C ATOM 2245 CG GLU A 972 0.700 -31.918 -22.998 1.00 79.75 C ATOM 2246 CD GLU A 972 -0.022 -32.835 -22.055 1.00 92.58 C ATOM 2247 OE1 GLU A 972 -1.156 -33.223 -22.377 1.00 94.95 O ATOM 2248 OE2 GLU A 972 0.532 -33.157 -20.985 1.00 94.79 O ATOM 2249 H GLU A 972 1.917 -30.175 -24.401 1.00 0.00 H ATOM 2250 N SER A 973 3.750 -31.830 -26.420 1.00 68.69 N ATOM 2251 CA SER A 973 4.454 -32.159 -27.623 1.00 75.00 C ATOM 2252 C SER A 973 5.947 -31.956 -27.384 1.00 78.88 C ATOM 2253 O SER A 973 6.769 -32.414 -28.165 1.00 83.22 O ATOM 2254 CB SER A 973 3.949 -31.270 -28.769 1.00 72.37 C ATOM 2255 OG SER A 973 4.977 -30.792 -29.604 1.00 70.01 O ATOM 2256 HG SER A 973 5.453 -31.559 -30.011 1.00 0.00 H ATOM 2257 H SER A 973 3.279 -30.905 -26.361 1.00 0.00 H ATOM 2258 N GLY A 974 6.294 -31.264 -26.315 1.00 69.35 N ATOM 2259 CA GLY A 974 7.682 -31.011 -26.019 1.00 65.89 C ATOM 2260 C GLY A 974 8.283 -29.833 -26.760 1.00 68.06 C ATOM 2261 O GLY A 974 9.483 -29.702 -26.792 1.00 64.81 O ATOM 2262 H GLY A 974 5.558 -30.897 -25.679 1.00 0.00 H ATOM 2263 N ASN A 975 7.439 -28.985 -27.338 1.00 69.11 N ATOM 2264 CA ASN A 975 7.863 -27.806 -28.102 1.00 67.97 C ATOM 2265 C ASN A 975 7.893 -26.456 -27.369 1.00 64.70 C ATOM 2266 O ASN A 975 8.003 -25.406 -27.975 1.00 58.97 O ATOM 2267 CB ASN A 975 7.052 -27.690 -29.380 1.00 72.41 C ATOM 2268 CG ASN A 975 7.330 -28.825 -30.332 1.00 83.40 C ATOM 2269 OD1 ASN A 975 8.396 -29.424 -30.289 1.00 82.42 O ATOM 2270 ND2 ASN A 975 6.360 -29.139 -31.189 1.00 82.93 N ATOM 2271 HD22 ASN A 975 5.470 -28.600 -31.188 1.00 0.00 H ATOM 2272 HD21 ASN A 975 6.492 -29.923 -31.859 1.00 0.00 H ATOM 2273 H ASN A 975 6.419 -29.167 -27.244 1.00 0.00 H ATOM 2274 N ALA A 976 7.796 -26.485 -26.061 1.00 59.52 N ATOM 2275 CA ALA A 976 7.903 -25.263 -25.347 1.00 60.57 C ATOM 2276 C ALA A 976 9.322 -25.365 -24.841 1.00 72.24 C ATOM 2277 O ALA A 976 9.645 -26.306 -24.134 1.00 76.92 O ATOM 2278 CB ALA A 976 6.920 -25.227 -24.222 1.00 52.41 C ATOM 2279 H ALA A 976 7.644 -27.383 -25.559 1.00 0.00 H ATOM 2280 N LYS A 977 10.179 -24.425 -25.246 1.00 73.08 N ATOM 2281 CA LYS A 977 11.575 -24.450 -24.829 1.00 68.94 C ATOM 2282 C LYS A 977 11.807 -23.695 -23.517 1.00 61.44 C ATOM 2283 O LYS A 977 11.953 -22.481 -23.499 1.00 57.28 O ATOM 2284 CB LYS A 977 12.461 -23.884 -25.922 1.00 67.82 C ATOM 2285 CG LYS A 977 13.616 -24.784 -26.282 1.00 84.14 C ATOM 2286 CD LYS A 977 14.581 -24.086 -27.220 1.00 93.51 C ATOM 2287 CE LYS A 977 15.855 -23.663 -26.513 1.00 91.75 C ATOM 2288 NZ LYS A 977 16.380 -22.413 -27.119 1.00 93.29 N ATOM 2289 HZ1 LYS A 977 16.584 -22.576 -28.126 1.00 0.00 H ATOM 2290 HZ2 LYS A 977 15.670 -21.659 -27.026 1.00 0.00 H ATOM 2291 HZ3 LYS A 977 17.253 -22.131 -26.628 1.00 0.00 H ATOM 2292 H LYS A 977 9.845 -23.662 -25.869 1.00 0.00 H ATOM 2293 N PRO A 978 11.837 -24.428 -22.411 1.00 55.73 N ATOM 2294 CA PRO A 978 12.045 -23.819 -21.094 1.00 61.97 C ATOM 2295 C PRO A 978 13.528 -23.654 -20.784 1.00 62.76 C ATOM 2296 O PRO A 978 14.255 -24.616 -20.765 1.00 78.74 O ATOM 2297 CB PRO A 978 11.433 -24.849 -20.168 1.00 63.15 C ATOM 2298 CG PRO A 978 11.758 -26.127 -20.842 1.00 66.64 C ATOM 2299 CD PRO A 978 11.739 -25.886 -22.316 1.00 56.03 C ATOM 2300 N LEU A 979 13.971 -22.429 -20.583 1.00 56.56 N ATOM 2301 CA LEU A 979 15.375 -22.195 -20.348 1.00 56.57 C ATOM 2302 C LEU A 979 15.866 -22.480 -18.940 1.00 54.07 C ATOM 2303 O LEU A 979 15.305 -22.039 -17.967 1.00 50.42 O ATOM 2304 CB LEU A 979 15.777 -20.825 -20.857 1.00 57.05 C ATOM 2305 CG LEU A 979 15.110 -20.569 -22.210 1.00 67.15 C ATOM 2306 CD1 LEU A 979 15.125 -19.131 -22.733 1.00 59.45 C ATOM 2307 CD2 LEU A 979 15.475 -21.603 -23.254 1.00 67.54 C ATOM 2308 H LEU A 979 13.307 -21.629 -20.594 1.00 0.00 H ATOM 2309 N TYR A 980 16.933 -23.257 -18.868 1.00 54.41 N ATOM 2310 CA TYR A 980 17.548 -23.647 -17.610 1.00 54.23 C ATOM 2311 C TYR A 980 18.896 -22.987 -17.372 1.00 51.46 C ATOM 2312 O TYR A 980 19.722 -22.942 -18.250 1.00 53.08 O ATOM 2313 CB TYR A 980 17.681 -25.154 -17.532 1.00 50.89 C ATOM 2314 CG TYR A 980 16.456 -25.795 -17.006 1.00 52.76 C ATOM 2315 CD1 TYR A 980 15.396 -26.053 -17.824 1.00 55.46 C ATOM 2316 CD2 TYR A 980 16.351 -26.124 -15.685 1.00 58.76 C ATOM 2317 CE1 TYR A 980 14.261 -26.641 -17.343 1.00 60.35 C ATOM 2318 CE2 TYR A 980 15.217 -26.716 -15.184 1.00 64.02 C ATOM 2319 CZ TYR A 980 14.163 -26.961 -16.015 1.00 66.56 C ATOM 2320 OH TYR A 980 13.016 -27.542 -15.526 1.00 63.47 O ATOM 2321 HH TYR A 980 12.361 -27.645 -16.261 1.00 0.00 H ATOM 2322 H TYR A 980 17.352 -23.606 -19.753 1.00 0.00 H ATOM 2323 N PHE A 981 19.098 -22.472 -16.173 1.00 47.56 N ATOM 2324 CA PHE A 981 20.340 -21.818 -15.805 1.00 49.80 C ATOM 2325 C PHE A 981 21.477 -22.785 -15.578 1.00 48.92 C ATOM 2326 O PHE A 981 22.606 -22.488 -15.889 1.00 55.33 O ATOM 2327 CB PHE A 981 20.174 -20.932 -14.555 1.00 51.16 C ATOM 2328 CG PHE A 981 19.588 -19.595 -14.844 1.00 48.28 C ATOM 2329 CD1 PHE A 981 20.387 -18.549 -15.240 1.00 47.95 C ATOM 2330 CD2 PHE A 981 18.239 -19.395 -14.759 1.00 43.76 C ATOM 2331 CE1 PHE A 981 19.844 -17.331 -15.539 1.00 43.96 C ATOM 2332 CE2 PHE A 981 17.695 -18.188 -15.041 1.00 39.19 C ATOM 2333 CZ PHE A 981 18.494 -17.156 -15.440 1.00 41.13 C ATOM 2334 H PHE A 981 18.338 -22.538 -15.466 1.00 0.00 H ATOM 2335 N HIS A 982 21.172 -23.935 -15.026 1.00 43.87 N ATOM 2336 CA HIS A 982 22.199 -24.899 -14.737 1.00 49.40 C ATOM 2337 C HIS A 982 21.977 -26.271 -15.411 1.00 50.53 C ATOM 2338 O HIS A 982 21.592 -27.256 -14.796 1.00 53.77 O ATOM 2339 CB HIS A 982 22.377 -24.980 -13.223 1.00 51.03 C ATOM 2340 CG HIS A 982 22.660 -23.659 -12.585 1.00 50.39 C ATOM 2341 ND1 HIS A 982 23.872 -23.028 -12.704 1.00 46.90 N ATOM 2342 CD2 HIS A 982 21.877 -22.826 -11.863 1.00 52.02 C ATOM 2343 CE1 HIS A 982 23.831 -21.872 -12.081 1.00 50.07 C ATOM 2344 NE2 HIS A 982 22.634 -21.730 -11.550 1.00 52.05 N ATOM 2345 H HIS A 982 20.181 -24.151 -14.796 1.00 0.00 H TER 2346 HIS A 982 HETATM 2347 O HOH 1 3.876 -15.338 -34.045 1.00 63.85 O HETATM 2348 O HOH 2 -15.193 -13.912 -7.587 1.00 55.92 O HETATM 2349 O HOH 3 3.993 -10.168 -7.254 1.00 43.51 O HETATM 2350 O HOH 4 -22.366 -31.850 -9.168 1.00 65.71 O HETATM 2351 O HOH 5 10.910 -26.901 -16.833 1.00 61.51 O HETATM 2352 O HOH 6 20.317 -9.110 -2.435 1.00 54.15 O HETATM 2353 O HOH 7 18.593 -11.506 2.147 1.00 44.82 O HETATM 2354 O HOH 8 -12.100 -15.405 -18.231 1.00 45.83 O HETATM 2355 O HOH 9 6.681 -32.959 -15.184 1.00 56.41 O HETATM 2356 O HOH 10 12.112 -17.155 -34.519 1.00 54.59 O HETATM 2357 O HOH 11 0.269 -11.538 -9.497 1.00 48.00 O HETATM 2358 O HOH 12 -2.777 -33.801 -7.623 1.00 51.75 O HETATM 2359 O HOH 13 -14.330 -21.877 -13.036 1.00 55.74 O HETATM 2360 O HOH 14 -0.224 -15.535 -7.980 1.00 41.27 O HETATM 2361 O HOH 15 23.093 -20.006 -16.891 1.00 63.26 O HETATM 2362 O HOH 16 22.624 -16.825 0.542 1.00 59.47 O HETATM 2363 O HOH 17 -0.837 -5.921 -11.964 1.00 63.68 O HETATM 2364 O HOH 18 -10.643 -9.035 -5.831 1.00 50.91 O HETATM 2365 O HOH 19 -4.150 -31.352 8.126 1.00 64.79 O HETATM 2366 O HOH 20 8.204 -17.652 -20.936 1.00 42.68 O HETATM 2367 O HOH 21 -4.737 -13.335 -4.884 1.00 42.39 O HETATM 2368 O HOH 22 -8.404 -25.915 9.135 1.00 60.63 O HETATM 2369 O HOH 23 1.930 -10.142 -11.137 1.00 54.95 O HETATM 2370 O HOH 24 18.548 -22.755 -4.415 1.00 43.48 O HETATM 2371 O HOH 25 -2.853 1.093 -19.998 1.00 53.09 O HETATM 2372 O HOH 26 3.810 -21.790 -17.066 1.00 42.96 O HETATM 2373 O HOH 27 19.484 -26.648 -11.556 1.00 60.59 O HETATM 2374 O HOH 28 32.962 -11.214 -10.158 1.00 41.28 O HETATM 2375 O HOH 29 18.439 -18.336 -30.781 1.00 54.78 O HETATM 2376 O HOH 30 26.070 -24.166 -14.144 1.00 57.89 O HETATM 2377 O HOH 31 -11.970 -16.267 -13.349 1.00 60.98 O HETATM 2378 O HOH 32 0.604 -38.368 -16.847 1.00 56.01 O HETATM 2379 O HOH 33 18.784 -6.972 -2.794 1.00 47.44 O HETATM 2380 O HOH 34 -14.064 -32.967 -20.662 1.00 61.53 O HETATM 2381 O HOH 35 2.971 -3.637 -23.508 1.00 56.48 O HETATM 2382 O HOH 36 -3.771 -11.008 -4.005 1.00 53.35 O HETATM 2383 O HOH 37 18.102 -23.513 -21.578 1.00 62.23 O HETATM 2384 O HOH 38 16.812 -24.328 -5.448 1.00 60.68 O HETATM 2385 O HOH 39 11.148 -27.986 4.692 1.00 70.85 O HETATM 2386 O HOH 40 -19.783 -18.833 0.194 1.00 73.69 O HETATM 2387 O HOH 41 12.830 -6.778 0.922 1.00 42.40 O HETATM 2388 O HOH 42 13.107 -29.286 -8.316 1.00 55.40 O HETATM 2389 O HOH 43 5.096 -3.557 -29.978 1.00 56.04 O HETATM 2390 O HOH 44 5.573 -15.017 -31.798 1.00 47.47 O HETATM 2391 O HOH 45 25.615 -11.612 -1.477 1.00 64.92 O HETATM 2392 O HOH 46 -15.191 -25.274 -17.428 1.00 61.31 O HETATM 2393 O HOH 47 13.109 -25.550 -34.012 1.00 53.23 O HETATM 2394 O HOH 48 -0.612 -9.440 -1.157 1.00 55.74 O HETATM 2395 O HOH 49 4.383 -8.761 5.708 1.00 71.69 O HETATM 2396 O HOH 50 -3.991 -9.328 0.887 1.00 69.07 O HETATM 2397 O HOH 51 22.087 -12.027 -25.503 1.00 59.34 O HETATM 2398 O HOH 52 11.636 0.040 -22.218 1.00 59.89 O HETATM 2399 O HOH 53 7.529 -28.791 -23.409 1.00 49.13 O HETATM 2400 O HOH 54 29.587 -8.030 -2.987 1.00 54.44 O HETATM 2401 O HOH 55 -0.769 -27.222 7.965 1.00 50.40 O HETATM 2402 O HOH 56 -1.911 -10.239 -6.000 1.00 53.36 O HETATM 2403 O HOH 57 0.949 -26.147 6.018 1.00 38.52 O HETATM 2404 O HOH 58 -8.469 -40.188 -21.142 1.00 60.35 O HETATM 2405 O HOH 59 20.503 -27.743 -17.682 1.00 58.61 O HETATM 2406 O HOH 60 27.297 -9.613 4.073 1.00 55.08 O HETATM 2407 O HOH 61 -9.543 -19.604 3.289 1.00 55.37 O HETATM 2408 O HOH 62 17.461 -26.770 -9.438 1.00 56.94 O HETATM 2409 O HOH 63 8.851 -32.155 -13.842 1.00 52.48 O HETATM 2410 O HOH 64 29.940 -9.086 -6.050 1.00 45.70 O HETATM 2411 O HOH 65 -17.127 -24.849 2.376 1.00 66.55 O HETATM 2412 O HOH 66 6.069 -24.532 -30.336 1.00 63.04 O HETATM 2413 O HOH 67 -15.912 -30.034 3.386 1.00 66.12 O HETATM 2414 O HOH 68 22.189 -5.858 -2.290 1.00 64.76 O HETATM 2415 O HOH 69 1.138 -10.975 -5.605 1.00 22.58 O HETATM 2416 O HOH 70 4.186 -7.281 -3.111 1.00 39.01 O HETATM 2417 O HOH 71 -0.251 -13.759 9.861 1.00 54.25 O HETATM 2418 O HOH 72 4.563 -17.836 10.919 1.00 54.38 O HETATM 2419 O HOH 73 -18.613 -31.249 -5.883 1.00 54.88 O HETATM 2420 O HOH 74 23.113 -19.184 2.246 1.00 46.94 O HETATM 2421 O HOH 75 -2.038 -20.045 -31.676 1.00 67.31 O HETATM 2422 O HOH 76 1.911 -13.051 -10.857 1.00 50.03 O HETATM 2423 O HOH 77 -1.741 -16.909 -29.351 1.00 60.95 O HETATM 2424 O HOH 78 10.653 -28.527 -6.676 1.00 56.79 O HETATM 2425 O HOH 79 13.548 -22.769 -37.392 1.00 52.10 O HETATM 2426 O HOH 80 -8.536 -17.536 4.351 1.00 69.39 O HETATM 2427 O HOH 81 18.712 -25.106 -27.559 1.00 59.46 O HETATM 2428 O HOH 82 -12.246 -34.893 -3.419 1.00 58.95 O HETATM 2429 O HOH 83 24.286 -19.382 -13.742 1.00 66.71 O HETATM 2430 O HOH 84 -3.405 -36.236 6.393 1.00 56.86 O HETATM 2431 O HOH 85 -16.788 -20.942 -11.365 1.00 46.76 O HETATM 2432 O HOH 86 18.403 -10.367 4.448 1.00 61.96 O HETATM 2433 O HOH 87 29.872 -8.592 -10.685 1.00 49.52 O HETATM 2434 O HOH 88 20.065 -26.395 -20.269 1.00 63.58 O HETATM 2435 O HOH 89 26.236 -18.768 -11.043 1.00 61.70 O HETATM 2436 O HOH 90 -2.948 -10.388 -1.502 1.00 59.59 O HETATM 2437 O HOH 91 15.453 -30.314 -17.899 1.00 64.83 O HETATM 2438 O HOH 92 18.006 -28.524 -12.226 1.00 53.22 O HETATM 2439 O HOH 93 -11.682 -39.478 -11.191 1.00 54.96 O HETATM 2440 O HOH 94 13.334 -29.862 -19.857 1.00 53.50 O HETATM 2441 C10 UNN A 95 -4.067 -20.552 -8.595 1.00 -0.06 C HETATM 2442 C11 UNN A 95 -4.181 -19.205 -8.258 1.00 -0.04 C HETATM 2443 C12 UNN A 95 -3.040 -18.462 -7.936 1.00 0.13 C HETATM 2444 C13 UNN A 95 -1.746 -18.983 -7.933 1.00 0.00 C HETATM 2445 C14 UNN A 95 -1.601 -20.310 -8.256 1.00 0.10 C HETATM 2446 C9 UNN A 95 -2.804 -21.146 -8.585 1.00 0.01 C HETATM 2447 C8 UNN A 95 -2.721 -22.588 -8.921 1.00 -0.02 C HETATM 2448 C17 UNN A 95 -1.789 -23.419 -8.070 1.00 -0.02 C HETATM 2449 C16 UNN A 95 -0.349 -23.084 -8.106 1.00 -0.00 C HETATM 2450 C15 UNN A 95 0.035 -21.949 -8.976 1.00 0.11 C HETATM 2451 O3 UNN A 95 -0.340 -20.785 -8.244 1.00 -0.30 O HETATM 2452 H3 UNN A 95 -0.505 -21.995 -9.933 1.00 0.08 H HETATM 2453 H4 UNN A 95 1.119 -21.955 -9.165 1.00 0.08 H HETATM 2454 C21 UNN A 95 0.584 -23.750 -7.362 1.00 -0.06 C HETATM 2455 C20 UNN A 95 0.149 -24.800 -6.557 1.00 -0.07 C HETATM 2456 C19 UNN A 95 -1.184 -25.137 -6.526 1.00 -0.07 C HETATM 2457 C18 UNN A 95 -2.173 -24.475 -7.266 1.00 -0.06 C HETATM 2458 H5 UNN A 95 -3.211 -24.783 -7.209 1.00 0.06 H HETATM 2459 H6 UNN A 95 -1.487 -25.963 -5.892 1.00 0.06 H HETATM 2460 H11 UNN A 95 0.862 -25.352 -5.955 1.00 0.06 H HETATM 2461 H10 UNN A 95 1.631 -23.470 -7.397 1.00 0.06 H HETATM 2462 C7 UNN A 95 -3.429 -22.995 -9.995 1.00 -0.07 C HETATM 2463 C6 UNN A 95 -3.552 -24.376 -10.514 1.00 -0.06 C HETATM 2464 C22 UNN A 95 -2.503 -25.312 -10.534 1.00 -0.08 C HETATM 2465 C23 UNN A 95 -2.746 -26.616 -11.015 1.00 -0.04 C HETATM 2466 C3 UNN A 95 -4.038 -26.979 -11.457 1.00 0.12 C HETATM 2467 C4 UNN A 95 -5.143 -25.977 -11.434 1.00 0.10 C HETATM 2468 C5 UNN A 95 -4.852 -24.704 -10.957 1.00 -0.04 C HETATM 2469 H13 UNN A 95 -5.633 -23.953 -10.925 1.00 0.04 H HETATM 2470 N UNN A 95 -6.371 -26.326 -11.906 1.00 -0.23 N HETATM 2471 C1 UNN A 95 -6.748 -27.614 -12.042 1.00 0.23 C HETATM 2472 O1 UNN A 95 -7.903 -27.949 -12.352 1.00 -0.38 O HETATM 2473 C2 UNN A 95 -5.716 -28.701 -11.780 1.00 0.16 C HETATM 2474 O2 UNN A 95 -4.376 -28.221 -11.953 1.00 -0.30 O HETATM 2475 H15 UNN A 95 -5.889 -29.532 -12.480 1.00 0.09 H HETATM 2476 H16 UNN A 95 -5.834 -29.061 -10.747 1.00 0.09 H HETATM 2477 H14 UNN A 95 -7.015 -25.604 -12.160 1.00 0.22 H HETATM 2478 H8 UNN A 95 -1.940 -27.340 -11.046 1.00 0.05 H HETATM 2479 H7 UNN A 95 -1.516 -25.034 -10.183 1.00 0.05 H HETATM 2480 H12 UNN A 95 -3.970 -22.223 -10.540 1.00 0.05 H HETATM 2481 H2 UNN A 95 -0.890 -18.366 -7.686 1.00 0.05 H HETATM 2482 F UNN A 95 -3.189 -17.177 -7.668 1.00 -0.19 F HETATM 2483 H9 UNN A 95 -5.156 -18.732 -8.245 1.00 0.05 H HETATM 2484 H1 UNN A 95 -4.945 -21.129 -8.861 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 158 159 164 165 166 CONECT 165 158 CONECT 166 158 CONECT 1651 1652 1661 1662 1663 CONECT 1661 1651 CONECT 1662 1651 CONECT 1663 1651 CONECT 2441 2442 2446 2484 CONECT 2442 2441 2443 2483 CONECT 2443 2442 2444 2482 CONECT 2444 2443 2445 2481 CONECT 2445 2444 2446 2451 CONECT 2446 2441 2445 2447 CONECT 2447 2446 2448 2462 CONECT 2448 2447 2449 2457 CONECT 2449 2448 2450 2454 CONECT 2450 2449 2451 2452 2453 CONECT 2451 2445 2450 CONECT 2452 2450 CONECT 2453 2450 CONECT 2454 2449 2455 2461 CONECT 2455 2454 2456 2460 CONECT 2456 2455 2457 2459 CONECT 2457 2448 2456 2458 CONECT 2458 2457 CONECT 2459 2456 CONECT 2460 2455 CONECT 2461 2454 CONECT 2462 2447 2463 2480 CONECT 2463 2462 2464 2468 CONECT 2464 2463 2465 2479 CONECT 2465 2464 2466 2478 CONECT 2466 2465 2467 2474 CONECT 2467 2466 2468 2470 CONECT 2468 2463 2467 2469 CONECT 2469 2468 CONECT 2470 2467 2471 2477 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2475 2476 CONECT 2474 2466 2473 CONECT 2475 2473 CONECT 2476 2473 CONECT 2477 2470 CONECT 2478 2465 CONECT 2479 2464 CONECT 2480 2462 CONECT 2481 2444 CONECT 2482 2443 CONECT 2483 2442 CONECT 2484 2441 MASTER 0 0 0 0 0 0 0 0 2481 3 54 20 END
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5hcv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Mineralocorticoid receptor ligand-binding domain (C808S)
Ligand Name
60R
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Ki=2nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioorg.Med.Chem. Vol. 24: pp. 1384-1391
Ligand Properties
Formula
C
2
3
H
1
6
FNO
3
Molecular Weight
373.376
Exact Mass
373.111
No. of atoms
44
No. of bonds
48
Polar Surface Area
47.56
LOGP Value
4.04 (
Computed with XLOGP3
)
4.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
Canonical SMILES
O=C1COc2c(N1)cc(cc2)/C=C/1\c2ccccc2COc2c1ccc(c2)F
InChI String
InChI=1S/C23H16FNO3/c24-16-6-7-18-19(17-4-2-1-3-15(17)12-27-22(18)11-16)9-14-5-8-21-20(10-14)25-23(26)13-28-21/h1-11H,12-13H2,(H,25,26)/b19-9+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08235
Entrez Gene ID
NCBI Entrez Gene ID:
4306
ASD
Information of known allosteric effects of PDB entries
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