Browse entries in the PDBbind-CN Database
HEADER 5L7G_COMPLEX COMPND 5L7G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 176 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 176 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 176 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 176 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 176 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 176 ILE GLN TYR SER TRP MET SER LEU LEU SER PHE ALA LEU SEQRES 7 A 176 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 176 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 176 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 176 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 176 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 176 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 176 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 176 MET VAL THR LYS SER PRO ASN SEQRES 1 A 71 SER GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR LYS SEQRES 2 A 71 LEU LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU LEU SEQRES 3 A 71 GLU PHE CYS PHE TYR THR PHE ARG GLU SER HIS ALA LEU SEQRES 4 A 71 LYS VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SER SEQRES 5 A 71 ASP GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS PRO SEQRES 6 A 71 LEU TYR PHE HIS ARG LYS HET UNN A 335 53 ATOM 1 N SER A 737 12.765 5.449 5.245 1.00 40.50 N ATOM 2 CA SER A 737 11.677 4.820 4.484 1.00 39.87 C ATOM 3 C SER A 737 11.178 5.736 3.351 1.00 40.81 C ATOM 4 O SER A 737 10.614 6.803 3.635 1.00 41.08 O ATOM 5 CB SER A 737 10.521 4.425 5.405 1.00 43.45 C ATOM 6 OG SER A 737 9.413 3.916 4.677 1.00 47.65 O ATOM 7 HG SER A 737 9.694 3.114 4.170 1.00 0.00 H ATOM 8 HN3 SER A 737 12.424 6.337 5.665 1.00 0.00 H ATOM 9 HN2 SER A 737 13.562 5.649 4.607 1.00 0.00 H ATOM 10 HN1 SER A 737 13.076 4.804 5.999 1.00 0.00 H ATOM 11 N PRO A 738 11.375 5.342 2.068 1.00 34.59 N ATOM 12 CA PRO A 738 10.936 6.208 0.954 1.00 33.52 C ATOM 13 C PRO A 738 9.422 6.439 0.899 1.00 33.30 C ATOM 14 O PRO A 738 8.982 7.548 0.601 1.00 32.53 O ATOM 15 CB PRO A 738 11.457 5.481 -0.299 1.00 35.42 C ATOM 16 CG PRO A 738 12.466 4.518 0.187 1.00 39.09 C ATOM 17 CD PRO A 738 12.054 4.131 1.566 1.00 35.48 C ATOM 18 N VAL A 739 8.639 5.402 1.221 1.00 27.96 N ATOM 19 CA VAL A 739 7.173 5.419 1.231 1.00 28.44 C ATOM 20 C VAL A 739 6.602 6.415 2.252 1.00 29.68 C ATOM 21 O VAL A 739 5.625 7.099 1.961 1.00 26.45 O ATOM 22 CB VAL A 739 6.606 3.990 1.421 1.00 33.37 C ATOM 23 CG1 VAL A 739 5.085 3.970 1.264 1.00 32.77 C ATOM 24 CG2 VAL A 739 7.272 3.022 0.439 1.00 33.44 C ATOM 25 H VAL A 739 9.109 4.512 1.485 1.00 0.00 H ATOM 26 N MET A 740 7.225 6.489 3.438 1.00 28.22 N ATOM 27 CA MET A 740 6.839 7.431 4.476 1.00 28.29 C ATOM 28 C MET A 740 7.155 8.857 4.030 1.00 28.37 C ATOM 29 O MET A 740 6.367 9.765 4.322 1.00 26.86 O ATOM 30 CB MET A 740 7.484 7.074 5.816 1.00 31.78 C ATOM 31 CG MET A 740 6.829 7.758 7.015 1.00 38.00 C ATOM 32 SD MET A 740 5.006 7.997 7.008 1.00 44.48 S ATOM 33 CE MET A 740 4.469 6.341 7.448 1.00 41.34 C ATOM 34 H MET A 740 8.019 5.844 3.623 1.00 0.00 H ATOM 35 N VAL A 741 8.258 9.041 3.261 1.00 23.26 N ATOM 36 CA VAL A 741 8.619 10.348 2.684 1.00 22.39 C ATOM 37 C VAL A 741 7.485 10.740 1.694 1.00 24.65 C ATOM 38 O VAL A 741 6.985 11.868 1.769 1.00 23.13 O ATOM 39 CB VAL A 741 10.035 10.381 2.014 1.00 25.26 C ATOM 40 CG1 VAL A 741 10.206 11.611 1.119 1.00 24.70 C ATOM 41 CG2 VAL A 741 11.145 10.339 3.060 1.00 24.65 C ATOM 42 H VAL A 741 8.874 8.225 3.071 1.00 0.00 H ATOM 43 N LEU A 742 7.065 9.787 0.819 1.00 20.15 N ATOM 44 CA LEU A 742 5.993 9.962 -0.171 1.00 20.59 C ATOM 45 C LEU A 742 4.706 10.464 0.478 1.00 24.53 C ATOM 46 O LEU A 742 4.104 11.427 0.001 1.00 22.80 O ATOM 47 CB LEU A 742 5.697 8.643 -0.933 1.00 20.83 C ATOM 48 CG LEU A 742 6.806 8.006 -1.781 1.00 24.60 C ATOM 49 CD1 LEU A 742 6.273 6.836 -2.585 1.00 23.60 C ATOM 50 CD2 LEU A 742 7.495 9.026 -2.689 1.00 25.94 C ATOM 51 H LEU A 742 7.540 8.862 0.853 1.00 0.00 H ATOM 52 N GLU A 743 4.295 9.811 1.576 1.00 22.85 N ATOM 53 CA GLU A 743 3.107 10.184 2.346 1.00 22.49 C ATOM 54 C GLU A 743 3.153 11.636 2.849 1.00 27.43 C ATOM 55 O GLU A 743 2.131 12.325 2.792 1.00 27.84 O ATOM 56 CB GLU A 743 2.933 9.249 3.531 1.00 24.09 C ATOM 57 CG GLU A 743 2.558 7.830 3.142 1.00 38.18 C ATOM 58 CD GLU A 743 2.209 6.968 4.335 1.00 58.57 C ATOM 59 OE1 GLU A 743 2.896 5.943 4.542 1.00 49.32 O ATOM 60 OE2 GLU A 743 1.284 7.344 5.093 1.00 57.62 O ATOM 61 H GLU A 743 4.852 8.994 1.898 1.00 0.00 H ATOM 62 N ASN A 744 4.328 12.099 3.326 1.00 22.26 N ATOM 63 CA ASN A 744 4.506 13.446 3.873 1.00 22.84 C ATOM 64 C ASN A 744 4.683 14.543 2.841 1.00 28.25 C ATOM 65 O ASN A 744 4.407 15.709 3.144 1.00 29.73 O ATOM 66 CB ASN A 744 5.661 13.469 4.864 1.00 22.92 C ATOM 67 CG ASN A 744 5.424 12.623 6.085 1.00 37.15 C ATOM 68 OD1 ASN A 744 4.397 12.739 6.747 1.00 37.28 O ATOM 69 ND2 ASN A 744 6.375 11.766 6.416 1.00 25.47 N ATOM 70 HD22 ASN A 744 7.234 11.692 5.834 1.00 0.00 H ATOM 71 HD21 ASN A 744 6.264 11.166 7.258 1.00 0.00 H ATOM 72 H ASN A 744 5.152 11.465 3.304 1.00 0.00 H ATOM 73 N ILE A 745 5.100 14.192 1.616 1.00 23.83 N ATOM 74 CA ILE A 745 5.311 15.196 0.561 1.00 22.67 C ATOM 75 C ILE A 745 4.115 15.285 -0.407 1.00 28.11 C ATOM 76 O ILE A 745 4.148 16.084 -1.352 1.00 27.24 O ATOM 77 CB ILE A 745 6.670 14.997 -0.189 1.00 24.04 C ATOM 78 CG1 ILE A 745 6.695 13.647 -0.971 1.00 22.45 C ATOM 79 CG2 ILE A 745 7.878 15.173 0.762 1.00 21.77 C ATOM 80 CD1 ILE A 745 7.739 13.556 -2.020 1.00 16.57 C ATOM 81 H ILE A 745 5.278 13.189 1.407 1.00 0.00 H ATOM 82 N GLU A 746 3.065 14.472 -0.163 1.00 26.43 N ATOM 83 CA GLU A 746 1.841 14.485 -0.953 1.00 27.56 C ATOM 84 C GLU A 746 1.245 15.901 -0.911 1.00 35.33 C ATOM 85 O GLU A 746 1.072 16.453 0.182 1.00 35.11 O ATOM 86 CB GLU A 746 0.839 13.435 -0.455 1.00 28.71 C ATOM 87 CG GLU A 746 -0.310 13.160 -1.411 1.00 38.29 C ATOM 88 CD GLU A 746 0.033 12.869 -2.863 1.00 57.78 C ATOM 89 OE1 GLU A 746 -0.671 13.396 -3.754 1.00 63.74 O ATOM 90 OE2 GLU A 746 1.029 12.156 -3.115 1.00 50.16 O ATOM 91 H GLU A 746 3.134 13.802 0.630 1.00 0.00 H ATOM 92 N PRO A 747 1.073 16.554 -2.087 1.00 34.08 N ATOM 93 CA PRO A 747 0.607 17.950 -2.083 1.00 34.43 C ATOM 94 C PRO A 747 -0.785 18.128 -1.486 1.00 39.04 C ATOM 95 O PRO A 747 -1.639 17.256 -1.638 1.00 38.75 O ATOM 96 CB PRO A 747 0.670 18.353 -3.563 1.00 36.13 C ATOM 97 CG PRO A 747 1.603 17.353 -4.200 1.00 40.56 C ATOM 98 CD PRO A 747 1.338 16.083 -3.463 1.00 35.54 C ATOM 99 N GLU A 748 -0.995 19.253 -0.781 1.00 35.99 N ATOM 100 CA GLU A 748 -2.280 19.605 -0.179 1.00 36.19 C ATOM 101 C GLU A 748 -3.328 19.861 -1.273 1.00 39.73 C ATOM 102 O GLU A 748 -2.982 20.281 -2.378 1.00 37.85 O ATOM 103 CB GLU A 748 -2.153 20.838 0.738 1.00 37.90 C ATOM 104 CG GLU A 748 -1.526 22.062 0.078 1.00 55.23 C ATOM 105 CD GLU A 748 -2.116 23.409 0.450 1.00 91.43 C ATOM 106 OE1 GLU A 748 -2.203 23.711 1.662 1.00 95.46 O ATOM 107 OE2 GLU A 748 -2.445 24.184 -0.478 1.00 90.55 O ATOM 108 H GLU A 748 -0.199 19.910 -0.657 1.00 0.00 H ATOM 109 N ILE A 749 -4.600 19.600 -0.957 1.00 37.41 N ATOM 110 CA ILE A 749 -5.735 19.832 -1.857 1.00 36.97 C ATOM 111 C ILE A 749 -5.813 21.331 -2.270 1.00 35.95 C ATOM 112 O ILE A 749 -5.508 22.212 -1.463 1.00 36.49 O ATOM 113 CB ILE A 749 -7.039 19.304 -1.171 1.00 40.74 C ATOM 114 CG1 ILE A 749 -8.084 18.851 -2.202 1.00 41.03 C ATOM 115 CG2 ILE A 749 -7.637 20.304 -0.137 1.00 42.48 C ATOM 116 CD1 ILE A 749 -8.923 17.666 -1.738 1.00 39.01 C ATOM 117 H ILE A 749 -4.798 19.208 -0.014 1.00 0.00 H ATOM 118 N VAL A 750 -6.131 21.598 -3.541 1.00 28.33 N ATOM 119 CA VAL A 750 -6.302 22.961 -4.049 1.00 27.06 C ATOM 120 C VAL A 750 -7.701 23.142 -4.631 1.00 26.66 C ATOM 121 O VAL A 750 -8.282 22.189 -5.167 1.00 24.82 O ATOM 122 CB VAL A 750 -5.193 23.484 -5.013 1.00 30.84 C ATOM 123 CG1 VAL A 750 -3.837 23.536 -4.317 1.00 30.45 C ATOM 124 CG2 VAL A 750 -5.118 22.683 -6.314 1.00 30.58 C ATOM 125 H VAL A 750 -6.263 20.803 -4.198 1.00 0.00 H ATOM 126 N TYR A 751 -8.228 24.364 -4.525 1.00 21.84 N ATOM 127 CA TYR A 751 -9.542 24.696 -5.056 1.00 22.61 C ATOM 128 C TYR A 751 -9.469 24.965 -6.553 1.00 25.18 C ATOM 129 O TYR A 751 -8.470 25.497 -7.027 1.00 23.60 O ATOM 130 CB TYR A 751 -10.135 25.916 -4.350 1.00 23.10 C ATOM 131 CG TYR A 751 -10.248 25.775 -2.855 1.00 24.60 C ATOM 132 CD1 TYR A 751 -11.257 25.004 -2.279 1.00 24.99 C ATOM 133 CD2 TYR A 751 -9.399 26.478 -2.006 1.00 26.48 C ATOM 134 CE1 TYR A 751 -11.384 24.901 -0.893 1.00 23.97 C ATOM 135 CE2 TYR A 751 -9.539 26.411 -0.623 1.00 27.65 C ATOM 136 CZ TYR A 751 -10.534 25.625 -0.070 1.00 31.96 C ATOM 137 OH TYR A 751 -10.617 25.554 1.296 1.00 31.31 O ATOM 138 HH TYR A 751 -11.368 24.961 1.549 1.00 0.00 H ATOM 139 H TYR A 751 -7.680 25.106 -4.045 1.00 0.00 H ATOM 140 N ALA A 752 -10.543 24.636 -7.278 1.00 21.96 N ATOM 141 CA ALA A 752 -10.648 24.876 -8.719 1.00 22.04 C ATOM 142 C ALA A 752 -10.915 26.352 -9.028 1.00 29.08 C ATOM 143 O ALA A 752 -10.502 26.842 -10.085 1.00 30.15 O ATOM 144 CB ALA A 752 -11.747 24.009 -9.317 1.00 22.25 C ATOM 145 H ALA A 752 -11.346 24.186 -6.793 1.00 0.00 H ATOM 146 N GLY A 753 -11.575 27.045 -8.100 1.00 26.79 N ATOM 147 CA GLY A 753 -11.957 28.440 -8.276 1.00 28.06 C ATOM 148 C GLY A 753 -13.153 28.516 -9.202 1.00 33.99 C ATOM 149 O GLY A 753 -13.279 29.448 -9.988 1.00 35.30 O ATOM 150 H GLY A 753 -11.829 26.569 -7.211 1.00 0.00 H ATOM 151 N TYR A 754 -14.021 27.500 -9.130 1.00 31.94 N ATOM 152 CA TYR A 754 -15.224 27.346 -9.939 1.00 32.28 C ATOM 153 C TYR A 754 -16.314 28.396 -9.650 1.00 38.40 C ATOM 154 O TYR A 754 -16.711 28.575 -8.501 1.00 38.30 O ATOM 155 CB TYR A 754 -15.757 25.917 -9.777 1.00 33.23 C ATOM 156 CG TYR A 754 -17.127 25.680 -10.368 1.00 35.20 C ATOM 157 CD1 TYR A 754 -17.342 25.766 -11.743 1.00 37.18 C ATOM 158 CD2 TYR A 754 -18.199 25.317 -9.560 1.00 36.01 C ATOM 159 CE1 TYR A 754 -18.602 25.530 -12.293 1.00 37.41 C ATOM 160 CE2 TYR A 754 -19.459 25.076 -10.097 1.00 37.24 C ATOM 161 CZ TYR A 754 -19.654 25.173 -11.466 1.00 44.61 C ATOM 162 OH TYR A 754 -20.889 24.895 -11.985 1.00 47.30 O ATOM 163 HH TYR A 754 -20.866 25.009 -12.968 1.00 0.00 H ATOM 164 H TYR A 754 -13.819 26.753 -8.435 1.00 0.00 H ATOM 165 N ASP A 755 -16.803 29.056 -10.710 1.00 36.34 N ATOM 166 CA ASP A 755 -17.855 30.074 -10.651 1.00 36.87 C ATOM 167 C ASP A 755 -19.198 29.437 -11.014 1.00 41.55 C ATOM 168 O ASP A 755 -19.515 29.255 -12.197 1.00 40.39 O ATOM 169 CB ASP A 755 -17.522 31.264 -11.572 1.00 38.89 C ATOM 170 CG ASP A 755 -18.304 32.548 -11.310 1.00 50.97 C ATOM 171 OD1 ASP A 755 -19.460 32.459 -10.860 1.00 50.90 O ATOM 172 OD2 ASP A 755 -17.770 33.642 -11.609 1.00 58.24 O ATOM 173 H ASP A 755 -16.406 28.828 -11.644 1.00 0.00 H ATOM 174 N SER A 756 -19.966 29.069 -9.971 1.00 39.28 N ATOM 175 CA SER A 756 -21.285 28.453 -10.075 1.00 39.85 C ATOM 176 C SER A 756 -22.356 29.458 -10.532 1.00 45.74 C ATOM 177 O SER A 756 -23.412 29.035 -10.997 1.00 44.95 O ATOM 178 CB SER A 756 -21.687 27.811 -8.750 1.00 42.45 C ATOM 179 OG SER A 756 -21.504 28.691 -7.651 1.00 50.00 O ATOM 180 HG SER A 756 -21.776 28.235 -6.816 1.00 0.00 H ATOM 181 H SER A 756 -19.590 29.237 -9.016 1.00 0.00 H ATOM 182 N SER A 757 -22.082 30.775 -10.416 1.00 44.67 N ATOM 183 CA SER A 757 -23.024 31.817 -10.849 1.00 45.97 C ATOM 184 C SER A 757 -23.056 31.973 -12.376 1.00 53.19 C ATOM 185 O SER A 757 -24.063 32.415 -12.923 1.00 53.97 O ATOM 186 CB SER A 757 -22.726 33.149 -10.161 1.00 48.81 C ATOM 187 OG SER A 757 -21.719 33.898 -10.820 1.00 55.92 O ATOM 188 HG SER A 757 -20.879 33.374 -10.840 1.00 0.00 H ATOM 189 H SER A 757 -21.171 31.063 -10.005 1.00 0.00 H ATOM 190 N LYS A 758 -21.953 31.607 -13.052 1.00 51.43 N ATOM 191 CA LYS A 758 -21.788 31.683 -14.505 1.00 51.95 C ATOM 192 C LYS A 758 -22.505 30.523 -15.235 1.00 58.28 C ATOM 193 O LYS A 758 -22.733 29.478 -14.606 1.00 58.16 O ATOM 194 CB LYS A 758 -20.293 31.721 -14.867 1.00 54.34 C ATOM 195 CG LYS A 758 -19.659 33.094 -14.677 1.00 69.32 C ATOM 196 CD LYS A 758 -18.268 33.141 -15.287 1.00 79.56 C ATOM 197 CE LYS A 758 -18.095 34.334 -16.192 1.00 88.14 C ATOM 198 NZ LYS A 758 -17.057 34.090 -17.226 1.00 96.67 N ATOM 199 HZ1 LYS A 758 -16.147 33.894 -16.762 1.00 0.00 H ATOM 200 HZ2 LYS A 758 -17.334 33.273 -17.808 1.00 0.00 H ATOM 201 HZ3 LYS A 758 -16.966 34.932 -17.830 1.00 0.00 H ATOM 202 H LYS A 758 -21.153 31.240 -12.498 1.00 0.00 H ATOM 203 N PRO A 759 -22.873 30.671 -16.548 1.00 55.94 N ATOM 204 CA PRO A 759 -23.557 29.562 -17.247 1.00 55.82 C ATOM 205 C PRO A 759 -22.698 28.298 -17.299 1.00 58.70 C ATOM 206 O PRO A 759 -21.488 28.383 -17.540 1.00 58.37 O ATOM 207 CB PRO A 759 -23.856 30.137 -18.638 1.00 57.46 C ATOM 208 CG PRO A 759 -22.907 31.262 -18.807 1.00 61.72 C ATOM 209 CD PRO A 759 -22.701 31.837 -17.444 1.00 57.27 C ATOM 210 N ASP A 760 -23.314 27.134 -17.011 1.00 53.62 N ATOM 211 CA ASP A 760 -22.595 25.867 -16.961 1.00 52.60 C ATOM 212 C ASP A 760 -22.404 25.244 -18.335 1.00 53.59 C ATOM 213 O ASP A 760 -22.895 24.145 -18.632 1.00 53.84 O ATOM 214 CB ASP A 760 -23.229 24.901 -15.957 1.00 54.78 C ATOM 215 CG ASP A 760 -22.485 24.880 -14.639 1.00 62.77 C ATOM 216 OD1 ASP A 760 -21.236 24.901 -14.663 1.00 63.21 O ATOM 217 OD2 ASP A 760 -23.153 24.848 -13.580 1.00 68.25 O ATOM 218 H ASP A 760 -24.336 27.140 -16.818 1.00 0.00 H ATOM 219 N THR A 761 -21.644 25.965 -19.164 1.00 46.16 N ATOM 220 CA THR A 761 -21.301 25.590 -20.531 1.00 43.54 C ATOM 221 C THR A 761 -20.042 24.727 -20.506 1.00 42.73 C ATOM 222 O THR A 761 -19.394 24.627 -19.462 1.00 40.25 O ATOM 223 CB THR A 761 -21.072 26.858 -21.359 1.00 45.04 C ATOM 224 OG1 THR A 761 -20.005 27.608 -20.775 1.00 39.95 O ATOM 225 CG2 THR A 761 -22.327 27.722 -21.479 1.00 42.81 C ATOM 226 HG1 THR A 761 -19.852 28.430 -21.306 1.00 0.00 H ATOM 227 H THR A 761 -21.267 26.866 -18.806 1.00 0.00 H ATOM 228 N ALA A 762 -19.707 24.109 -21.651 1.00 38.64 N ATOM 229 CA ALA A 762 -18.504 23.300 -21.816 1.00 38.71 C ATOM 230 C ALA A 762 -17.259 24.189 -21.731 1.00 42.85 C ATOM 231 O ALA A 762 -16.291 23.795 -21.097 1.00 42.32 O ATOM 232 CB ALA A 762 -18.539 22.557 -23.145 1.00 39.05 C ATOM 233 H ALA A 762 -20.342 24.213 -22.468 1.00 0.00 H ATOM 234 N GLU A 763 -17.321 25.413 -22.292 1.00 39.85 N ATOM 235 CA GLU A 763 -16.197 26.359 -22.281 1.00 39.95 C ATOM 236 C GLU A 763 -15.822 26.825 -20.881 1.00 42.43 C ATOM 237 O GLU A 763 -14.632 26.939 -20.596 1.00 43.29 O ATOM 238 CB GLU A 763 -16.408 27.558 -23.231 1.00 41.56 C ATOM 239 CG GLU A 763 -17.714 28.326 -23.063 1.00 57.94 C ATOM 240 CD GLU A 763 -18.908 27.862 -23.885 1.00 76.12 C ATOM 241 OE1 GLU A 763 -19.039 26.641 -24.143 1.00 54.27 O ATOM 242 OE2 GLU A 763 -19.756 28.726 -24.210 1.00 65.56 O ATOM 243 H GLU A 763 -18.207 25.701 -22.755 1.00 0.00 H ATOM 244 N ASN A 764 -16.816 27.057 -20.007 1.00 36.52 N ATOM 245 CA ASN A 764 -16.569 27.515 -18.642 1.00 35.27 C ATOM 246 C ASN A 764 -16.075 26.391 -17.724 1.00 35.91 C ATOM 247 O ASN A 764 -15.162 26.624 -16.922 1.00 33.52 O ATOM 248 CB ASN A 764 -17.785 28.246 -18.075 1.00 37.86 C ATOM 249 CG ASN A 764 -18.097 29.552 -18.798 1.00 70.64 C ATOM 250 OD1 ASN A 764 -17.301 30.065 -19.604 1.00 66.55 O ATOM 251 ND2 ASN A 764 -19.262 30.131 -18.517 1.00 61.48 N ATOM 252 HD22 ASN A 764 -19.914 29.686 -17.840 1.00 0.00 H ATOM 253 HD21 ASN A 764 -19.520 31.029 -18.974 1.00 0.00 H ATOM 254 H ASN A 764 -17.798 26.905 -20.314 1.00 0.00 H ATOM 255 N LEU A 765 -16.641 25.172 -17.864 1.00 31.96 N ATOM 256 CA LEU A 765 -16.202 24.008 -17.083 1.00 31.88 C ATOM 257 C LEU A 765 -14.775 23.608 -17.482 1.00 32.55 C ATOM 258 O LEU A 765 -13.932 23.390 -16.601 1.00 32.03 O ATOM 259 CB LEU A 765 -17.149 22.794 -17.263 1.00 32.63 C ATOM 260 CG LEU A 765 -18.519 22.849 -16.572 1.00 38.83 C ATOM 261 CD1 LEU A 765 -19.389 21.706 -17.031 1.00 38.93 C ATOM 262 CD2 LEU A 765 -18.391 22.805 -15.048 1.00 42.59 C ATOM 263 H LEU A 765 -17.415 25.054 -18.549 1.00 0.00 H ATOM 264 N LEU A 766 -14.500 23.538 -18.805 1.00 27.06 N ATOM 265 CA LEU A 766 -13.173 23.174 -19.310 1.00 27.05 C ATOM 266 C LEU A 766 -12.100 24.178 -18.895 1.00 28.17 C ATOM 267 O LEU A 766 -11.020 23.763 -18.476 1.00 25.19 O ATOM 268 CB LEU A 766 -13.165 22.921 -20.834 1.00 27.13 C ATOM 269 CG LEU A 766 -13.948 21.694 -21.315 1.00 30.80 C ATOM 270 CD1 LEU A 766 -14.156 21.735 -22.805 1.00 30.26 C ATOM 271 CD2 LEU A 766 -13.295 20.394 -20.881 1.00 32.67 C ATOM 272 H LEU A 766 -15.256 23.750 -19.487 1.00 0.00 H ATOM 273 N SER A 767 -12.438 25.489 -18.926 1.00 24.88 N ATOM 274 CA SER A 767 -11.538 26.577 -18.522 1.00 24.14 C ATOM 275 C SER A 767 -11.216 26.494 -17.027 1.00 27.33 C ATOM 276 O SER A 767 -10.094 26.776 -16.630 1.00 25.90 O ATOM 277 CB SER A 767 -12.129 27.943 -18.873 1.00 25.81 C ATOM 278 OG SER A 767 -12.190 28.117 -20.280 1.00 30.21 O ATOM 279 HG SER A 767 -12.760 27.410 -20.674 1.00 0.00 H ATOM 280 H SER A 767 -13.392 25.740 -19.256 1.00 0.00 H ATOM 281 N THR A 768 -12.202 26.102 -16.210 1.00 25.59 N ATOM 282 CA THR A 768 -12.033 25.915 -14.762 1.00 24.64 C ATOM 283 C THR A 768 -11.120 24.707 -14.530 1.00 24.29 C ATOM 284 O THR A 768 -10.220 24.775 -13.701 1.00 22.24 O ATOM 285 CB THR A 768 -13.397 25.749 -14.072 1.00 26.05 C ATOM 286 OG1 THR A 768 -14.186 26.881 -14.404 1.00 32.16 O ATOM 287 CG2 THR A 768 -13.277 25.661 -12.541 1.00 22.15 C ATOM 288 HG1 THR A 768 -14.299 26.927 -15.386 1.00 0.00 H ATOM 289 H THR A 768 -13.139 25.920 -16.623 1.00 0.00 H ATOM 290 N LEU A 769 -11.361 23.614 -15.267 1.00 21.50 N ATOM 291 CA LEU A 769 -10.535 22.405 -15.187 1.00 21.14 C ATOM 292 C LEU A 769 -9.093 22.703 -15.591 1.00 23.03 C ATOM 293 O LEU A 769 -8.169 22.167 -14.976 1.00 22.29 O ATOM 294 CB LEU A 769 -11.102 21.272 -16.059 1.00 20.56 C ATOM 295 CG LEU A 769 -12.306 20.515 -15.529 1.00 25.89 C ATOM 296 CD1 LEU A 769 -12.651 19.351 -16.443 1.00 26.20 C ATOM 297 CD2 LEU A 769 -12.076 20.012 -14.110 1.00 28.00 C ATOM 298 H LEU A 769 -12.168 23.624 -15.923 1.00 0.00 H ATOM 299 N ASN A 770 -8.901 23.555 -16.614 1.00 18.93 N ATOM 300 CA ASN A 770 -7.565 23.935 -17.105 1.00 19.03 C ATOM 301 C ASN A 770 -6.806 24.757 -16.096 1.00 22.03 C ATOM 302 O ASN A 770 -5.609 24.497 -15.860 1.00 19.46 O ATOM 303 CB ASN A 770 -7.641 24.625 -18.468 1.00 21.25 C ATOM 304 CG ASN A 770 -8.009 23.666 -19.553 1.00 30.16 C ATOM 305 OD1 ASN A 770 -7.966 22.463 -19.362 1.00 26.16 O ATOM 306 ND2 ASN A 770 -8.497 24.157 -20.668 1.00 16.81 N ATOM 307 HD22 ASN A 770 -8.526 25.186 -20.814 1.00 0.00 H ATOM 308 HD21 ASN A 770 -8.855 23.517 -21.405 1.00 0.00 H ATOM 309 H ASN A 770 -9.735 23.965 -17.080 1.00 0.00 H ATOM 310 N ARG A 771 -7.533 25.706 -15.444 1.00 19.61 N ATOM 311 CA ARG A 771 -7.006 26.566 -14.389 1.00 20.37 C ATOM 312 C ARG A 771 -6.563 25.670 -13.223 1.00 22.84 C ATOM 313 O ARG A 771 -5.479 25.871 -12.678 1.00 22.57 O ATOM 314 CB ARG A 771 -8.087 27.585 -13.931 1.00 19.61 C ATOM 315 CG ARG A 771 -7.665 28.509 -12.785 1.00 35.59 C ATOM 316 CD ARG A 771 -8.624 29.692 -12.558 1.00 48.92 C ATOM 317 NE ARG A 771 -10.015 29.286 -12.295 1.00 62.70 N ATOM 318 CZ ARG A 771 -11.022 29.405 -13.164 1.00 71.34 C ATOM 319 NH1 ARG A 771 -12.242 29.012 -12.832 1.00 56.63 N ATOM 320 NH2 ARG A 771 -10.812 29.919 -14.371 1.00 53.24 N ATOM 321 HE ARG A 771 -10.229 28.876 -11.363 1.00 0.00 H ATOM 322 HH12 ARG A 771 -13.022 29.107 -13.513 1.00 0.00 H ATOM 323 HH11 ARG A 771 -12.420 28.608 -11.890 1.00 0.00 H ATOM 324 HH22 ARG A 771 -11.601 30.009 -15.043 1.00 0.00 H ATOM 325 HH21 ARG A 771 -9.859 30.232 -14.644 1.00 0.00 H ATOM 326 H ARG A 771 -8.530 25.826 -15.716 1.00 0.00 H ATOM 327 N LEU A 772 -7.403 24.689 -12.857 1.00 19.38 N ATOM 328 CA LEU A 772 -7.103 23.757 -11.779 1.00 20.03 C ATOM 329 C LEU A 772 -5.875 22.890 -12.130 1.00 23.24 C ATOM 330 O LEU A 772 -4.977 22.739 -11.295 1.00 23.03 O ATOM 331 CB LEU A 772 -8.341 22.908 -11.418 1.00 20.09 C ATOM 332 CG LEU A 772 -8.144 21.784 -10.364 1.00 23.23 C ATOM 333 CD1 LEU A 772 -7.777 22.354 -8.987 1.00 22.03 C ATOM 334 CD2 LEU A 772 -9.367 20.905 -10.275 1.00 24.98 C ATOM 335 H LEU A 772 -8.305 24.590 -13.364 1.00 0.00 H ATOM 336 N ALA A 773 -5.826 22.359 -13.367 1.00 20.96 N ATOM 337 CA ALA A 773 -4.696 21.566 -13.873 1.00 20.69 C ATOM 338 C ALA A 773 -3.389 22.395 -13.818 1.00 22.81 C ATOM 339 O ALA A 773 -2.364 21.880 -13.376 1.00 21.10 O ATOM 340 CB ALA A 773 -4.975 21.056 -15.284 1.00 20.87 C ATOM 341 H ALA A 773 -6.635 22.519 -14.001 1.00 0.00 H ATOM 342 N GLY A 774 -3.469 23.683 -14.159 1.00 21.19 N ATOM 343 CA GLY A 774 -2.323 24.579 -14.063 1.00 21.10 C ATOM 344 C GLY A 774 -1.738 24.655 -12.658 1.00 24.66 C ATOM 345 O GLY A 774 -0.523 24.485 -12.474 1.00 23.02 O ATOM 346 H GLY A 774 -4.376 24.058 -14.503 1.00 0.00 H ATOM 347 N LYS A 775 -2.614 24.895 -11.651 1.00 21.47 N ATOM 348 CA LYS A 775 -2.219 24.997 -10.241 1.00 21.55 C ATOM 349 C LYS A 775 -1.606 23.669 -9.753 1.00 23.20 C ATOM 350 O LYS A 775 -0.522 23.647 -9.162 1.00 19.89 O ATOM 351 CB LYS A 775 -3.414 25.382 -9.347 1.00 24.72 C ATOM 352 CG LYS A 775 -4.033 26.747 -9.622 1.00 42.30 C ATOM 353 CD LYS A 775 -5.089 27.075 -8.567 1.00 53.87 C ATOM 354 CE LYS A 775 -6.366 27.654 -9.141 1.00 62.66 C ATOM 355 NZ LYS A 775 -7.271 26.599 -9.681 1.00 66.20 N ATOM 356 HZ1 LYS A 775 -6.783 26.079 -10.438 1.00 0.00 H ATOM 357 HZ2 LYS A 775 -7.529 25.941 -8.918 1.00 0.00 H ATOM 358 HZ3 LYS A 775 -8.131 27.043 -10.062 1.00 0.00 H ATOM 359 H LYS A 775 -3.619 25.013 -11.890 1.00 0.00 H ATOM 360 N GLN A 776 -2.299 22.567 -10.045 1.00 20.46 N ATOM 361 CA GLN A 776 -1.899 21.216 -9.677 1.00 19.21 C ATOM 362 C GLN A 776 -0.561 20.851 -10.308 1.00 21.76 C ATOM 363 O GLN A 776 0.200 20.132 -9.689 1.00 21.17 O ATOM 364 CB GLN A 776 -2.983 20.219 -10.100 1.00 20.00 C ATOM 365 CG GLN A 776 -4.221 20.233 -9.197 1.00 24.35 C ATOM 366 CD GLN A 776 -5.240 19.211 -9.627 1.00 33.31 C ATOM 367 OE1 GLN A 776 -5.153 18.626 -10.706 1.00 29.97 O ATOM 368 NE2 GLN A 776 -6.247 18.982 -8.804 1.00 22.99 N ATOM 369 HE22 GLN A 776 -6.302 19.487 -7.897 1.00 0.00 H ATOM 370 HE21 GLN A 776 -6.985 18.297 -9.063 1.00 0.00 H ATOM 371 H GLN A 776 -3.188 22.681 -10.573 1.00 0.00 H ATOM 372 N MET A 777 -0.264 21.355 -11.525 1.00 18.68 N ATOM 373 CA MET A 777 1.010 21.076 -12.179 1.00 18.50 C ATOM 374 C MET A 777 2.182 21.771 -11.466 1.00 24.18 C ATOM 375 O MET A 777 3.267 21.183 -11.355 1.00 23.31 O ATOM 376 CB MET A 777 0.969 21.372 -13.691 1.00 20.26 C ATOM 377 CG MET A 777 0.327 20.259 -14.511 1.00 22.85 C ATOM 378 SD MET A 777 0.854 18.588 -14.053 1.00 26.44 S ATOM 379 CE MET A 777 2.669 18.687 -14.445 1.00 23.34 C ATOM 380 H MET A 777 -0.961 21.957 -12.008 1.00 0.00 H ATOM 381 N ILE A 778 1.931 22.964 -10.895 1.00 21.19 N ATOM 382 CA ILE A 778 2.938 23.668 -10.093 1.00 21.83 C ATOM 383 C ILE A 778 3.264 22.809 -8.864 1.00 25.43 C ATOM 384 O ILE A 778 4.436 22.633 -8.528 1.00 26.32 O ATOM 385 CB ILE A 778 2.507 25.120 -9.716 1.00 25.17 C ATOM 386 CG1 ILE A 778 2.458 26.020 -10.968 1.00 25.61 C ATOM 387 CG2 ILE A 778 3.453 25.726 -8.642 1.00 26.02 C ATOM 388 CD1 ILE A 778 1.755 27.364 -10.759 1.00 30.36 C ATOM 389 H ILE A 778 0.996 23.399 -11.026 1.00 0.00 H ATOM 390 N GLN A 779 2.222 22.235 -8.243 1.00 22.74 N ATOM 391 CA GLN A 779 2.326 21.337 -7.099 1.00 22.82 C ATOM 392 C GLN A 779 3.094 20.069 -7.456 1.00 24.47 C ATOM 393 O GLN A 779 3.935 19.635 -6.670 1.00 23.71 O ATOM 394 CB GLN A 779 0.943 20.961 -6.593 1.00 24.20 C ATOM 395 CG GLN A 779 0.199 22.080 -5.899 1.00 23.92 C ATOM 396 CD GLN A 779 -1.029 21.489 -5.262 1.00 36.91 C ATOM 397 OE1 GLN A 779 -1.872 20.884 -5.933 1.00 28.68 O ATOM 398 NE2 GLN A 779 -1.154 21.649 -3.950 1.00 32.89 N ATOM 399 HE22 GLN A 779 -0.424 22.164 -3.417 1.00 0.00 H ATOM 400 HE21 GLN A 779 -1.981 21.259 -3.455 1.00 0.00 H ATOM 401 H GLN A 779 1.270 22.446 -8.604 1.00 0.00 H ATOM 402 N VAL A 780 2.813 19.500 -8.649 1.00 20.24 N ATOM 403 CA VAL A 780 3.482 18.310 -9.189 1.00 20.26 C ATOM 404 C VAL A 780 4.996 18.555 -9.336 1.00 22.58 C ATOM 405 O VAL A 780 5.789 17.693 -8.966 1.00 20.19 O ATOM 406 CB VAL A 780 2.833 17.821 -10.519 1.00 23.39 C ATOM 407 CG1 VAL A 780 3.772 16.901 -11.302 1.00 22.91 C ATOM 408 CG2 VAL A 780 1.511 17.127 -10.255 1.00 23.40 C ATOM 409 H VAL A 780 2.068 19.937 -9.227 1.00 0.00 H ATOM 410 N VAL A 781 5.386 19.716 -9.886 1.00 21.61 N ATOM 411 CA VAL A 781 6.797 20.074 -10.048 1.00 22.06 C ATOM 412 C VAL A 781 7.503 20.171 -8.662 1.00 26.62 C ATOM 413 O VAL A 781 8.581 19.585 -8.491 1.00 27.36 O ATOM 414 CB VAL A 781 7.012 21.340 -10.939 1.00 26.40 C ATOM 415 CG1 VAL A 781 8.495 21.690 -11.045 1.00 25.98 C ATOM 416 CG2 VAL A 781 6.422 21.145 -12.328 1.00 26.11 C ATOM 417 H VAL A 781 4.659 20.386 -10.209 1.00 0.00 H ATOM 418 N LYS A 782 6.877 20.873 -7.677 1.00 22.42 N ATOM 419 CA LYS A 782 7.429 20.990 -6.313 1.00 21.70 C ATOM 420 C LYS A 782 7.549 19.619 -5.598 1.00 24.55 C ATOM 421 O LYS A 782 8.505 19.389 -4.854 1.00 25.79 O ATOM 422 CB LYS A 782 6.627 21.988 -5.480 1.00 23.61 C ATOM 423 CG LYS A 782 6.778 23.417 -6.016 1.00 41.02 C ATOM 424 CD LYS A 782 5.979 24.440 -5.242 1.00 50.27 C ATOM 425 CE LYS A 782 6.236 25.832 -5.774 1.00 57.83 C ATOM 426 NZ LYS A 782 5.360 26.841 -5.124 1.00 66.66 N ATOM 427 HZ1 LYS A 782 4.364 26.601 -5.303 1.00 0.00 H ATOM 428 HZ2 LYS A 782 5.538 26.844 -4.099 1.00 0.00 H ATOM 429 HZ3 LYS A 782 5.567 27.782 -5.516 1.00 0.00 H ATOM 430 H LYS A 782 5.976 21.345 -7.894 1.00 0.00 H ATOM 431 N TRP A 783 6.602 18.720 -5.858 1.00 19.52 N ATOM 432 CA TRP A 783 6.576 17.354 -5.332 1.00 19.74 C ATOM 433 C TRP A 783 7.714 16.525 -5.964 1.00 24.51 C ATOM 434 O TRP A 783 8.452 15.857 -5.238 1.00 23.39 O ATOM 435 CB TRP A 783 5.172 16.734 -5.567 1.00 17.56 C ATOM 436 CG TRP A 783 5.098 15.235 -5.513 1.00 18.11 C ATOM 437 CD1 TRP A 783 4.956 14.456 -4.400 1.00 20.86 C ATOM 438 CD2 TRP A 783 5.149 14.339 -6.629 1.00 17.75 C ATOM 439 NE1 TRP A 783 4.916 13.127 -4.754 1.00 19.79 N ATOM 440 CE2 TRP A 783 5.019 13.026 -6.120 1.00 21.32 C ATOM 441 CE3 TRP A 783 5.272 14.519 -8.023 1.00 19.24 C ATOM 442 CZ2 TRP A 783 4.965 11.900 -6.955 1.00 20.57 C ATOM 443 CZ3 TRP A 783 5.266 13.401 -8.847 1.00 20.60 C ATOM 444 CH2 TRP A 783 5.086 12.114 -8.317 1.00 21.33 C ATOM 445 HE1 TRP A 783 4.823 12.328 -4.094 1.00 0.00 H ATOM 446 H TRP A 783 5.822 19.010 -6.482 1.00 0.00 H ATOM 447 N ALA A 784 7.873 16.601 -7.305 1.00 22.84 N ATOM 448 CA ALA A 784 8.909 15.868 -8.043 1.00 24.05 C ATOM 449 C ALA A 784 10.346 16.226 -7.568 1.00 27.63 C ATOM 450 O ALA A 784 11.155 15.327 -7.351 1.00 26.86 O ATOM 451 CB ALA A 784 8.756 16.102 -9.538 1.00 25.06 C ATOM 452 H ALA A 784 7.226 17.212 -7.843 1.00 0.00 H ATOM 453 N LYS A 785 10.598 17.515 -7.295 1.00 25.24 N ATOM 454 CA LYS A 785 11.862 18.052 -6.781 1.00 24.74 C ATOM 455 C LYS A 785 12.312 17.362 -5.496 1.00 27.57 C ATOM 456 O LYS A 785 13.501 17.078 -5.343 1.00 26.92 O ATOM 457 CB LYS A 785 11.702 19.537 -6.466 1.00 26.89 C ATOM 458 CG LYS A 785 11.892 20.441 -7.650 1.00 40.04 C ATOM 459 CD LYS A 785 11.752 21.873 -7.228 1.00 47.29 C ATOM 460 CE LYS A 785 13.071 22.487 -6.835 1.00 48.20 C ATOM 461 NZ LYS A 785 12.958 23.963 -6.800 1.00 59.26 N ATOM 462 HZ1 LYS A 785 12.687 24.311 -7.742 1.00 0.00 H ATOM 463 HZ2 LYS A 785 12.234 24.238 -6.106 1.00 0.00 H ATOM 464 HZ3 LYS A 785 13.874 24.373 -6.528 1.00 0.00 H ATOM 465 H LYS A 785 9.828 18.194 -7.463 1.00 0.00 H ATOM 466 N VAL A 786 11.362 17.085 -4.578 1.00 22.87 N ATOM 467 CA VAL A 786 11.685 16.483 -3.292 1.00 22.17 C ATOM 468 C VAL A 786 11.399 14.972 -3.268 1.00 25.98 C ATOM 469 O VAL A 786 11.400 14.361 -2.203 1.00 25.83 O ATOM 470 CB VAL A 786 11.032 17.245 -2.114 1.00 24.96 C ATOM 471 CG1 VAL A 786 11.558 18.680 -2.049 1.00 24.24 C ATOM 472 CG2 VAL A 786 9.497 17.213 -2.171 1.00 24.41 C ATOM 473 H VAL A 786 10.370 17.308 -4.796 1.00 0.00 H ATOM 474 N LEU A 787 11.186 14.373 -4.438 1.00 22.23 N ATOM 475 CA LEU A 787 10.918 12.941 -4.551 1.00 23.57 C ATOM 476 C LEU A 787 12.235 12.166 -4.397 1.00 28.83 C ATOM 477 O LEU A 787 13.161 12.472 -5.142 1.00 29.23 O ATOM 478 CB LEU A 787 10.313 12.699 -5.938 1.00 24.13 C ATOM 479 CG LEU A 787 9.332 11.553 -6.151 1.00 29.80 C ATOM 480 CD1 LEU A 787 8.210 11.575 -5.132 1.00 30.12 C ATOM 481 CD2 LEU A 787 8.726 11.665 -7.515 1.00 29.94 C ATOM 482 H LEU A 787 11.211 14.947 -5.305 1.00 0.00 H ATOM 483 N PRO A 788 12.405 11.198 -3.454 1.00 26.51 N ATOM 484 CA PRO A 788 13.718 10.510 -3.362 1.00 26.53 C ATOM 485 C PRO A 788 14.194 9.916 -4.692 1.00 30.76 C ATOM 486 O PRO A 788 13.431 9.229 -5.385 1.00 30.29 O ATOM 487 CB PRO A 788 13.518 9.464 -2.256 1.00 27.98 C ATOM 488 CG PRO A 788 12.354 9.983 -1.451 1.00 31.33 C ATOM 489 CD PRO A 788 11.462 10.703 -2.427 1.00 27.03 C ATOM 490 N GLY A 789 15.410 10.302 -5.076 1.00 27.17 N ATOM 491 CA GLY A 789 16.089 9.871 -6.299 1.00 27.28 C ATOM 492 C GLY A 789 15.873 10.717 -7.541 1.00 30.45 C ATOM 493 O GLY A 789 16.596 10.560 -8.530 1.00 29.47 O ATOM 494 H GLY A 789 15.919 10.964 -4.456 1.00 0.00 H ATOM 495 N PHE A 790 14.880 11.616 -7.513 1.00 27.25 N ATOM 496 CA PHE A 790 14.517 12.405 -8.680 1.00 26.78 C ATOM 497 C PHE A 790 15.595 13.435 -9.062 1.00 30.86 C ATOM 498 O PHE A 790 15.852 13.612 -10.260 1.00 27.45 O ATOM 499 CB PHE A 790 13.126 13.033 -8.520 1.00 27.37 C ATOM 500 CG PHE A 790 12.545 13.585 -9.806 1.00 27.55 C ATOM 501 CD1 PHE A 790 12.018 12.733 -10.774 1.00 29.68 C ATOM 502 CD2 PHE A 790 12.508 14.956 -10.038 1.00 28.38 C ATOM 503 CE1 PHE A 790 11.502 13.240 -11.964 1.00 30.26 C ATOM 504 CE2 PHE A 790 11.944 15.467 -11.206 1.00 30.97 C ATOM 505 CZ PHE A 790 11.444 14.607 -12.162 1.00 29.72 C ATOM 506 H PHE A 790 14.351 11.754 -6.628 1.00 0.00 H ATOM 507 N LYS A 791 16.262 14.043 -8.048 1.00 30.47 N ATOM 508 CA LYS A 791 17.357 15.003 -8.227 1.00 31.96 C ATOM 509 C LYS A 791 18.607 14.384 -8.888 1.00 37.34 C ATOM 510 O LYS A 791 19.375 15.119 -9.498 1.00 38.94 O ATOM 511 CB LYS A 791 17.726 15.706 -6.906 1.00 35.84 C ATOM 512 CG LYS A 791 16.735 16.780 -6.439 1.00 53.78 C ATOM 513 CD LYS A 791 16.764 18.076 -7.239 1.00 61.23 C ATOM 514 CE LYS A 791 15.946 19.137 -6.544 1.00 73.00 C ATOM 515 NZ LYS A 791 15.821 20.367 -7.368 1.00 84.61 N ATOM 516 HZ1 LYS A 791 16.768 20.755 -7.555 1.00 0.00 H ATOM 517 HZ2 LYS A 791 15.356 20.134 -8.269 1.00 0.00 H ATOM 518 HZ3 LYS A 791 15.252 21.070 -6.855 1.00 0.00 H ATOM 519 H LYS A 791 15.977 13.812 -7.075 1.00 0.00 H ATOM 520 N ASN A 792 18.795 13.049 -8.790 1.00 33.46 N ATOM 521 CA ASN A 792 19.903 12.331 -9.428 1.00 33.80 C ATOM 522 C ASN A 792 19.788 12.392 -10.960 1.00 37.13 C ATOM 523 O ASN A 792 20.802 12.419 -11.662 1.00 36.27 O ATOM 524 CB ASN A 792 19.969 10.862 -8.963 1.00 35.68 C ATOM 525 CG ASN A 792 20.152 10.649 -7.465 1.00 64.38 C ATOM 526 OD1 ASN A 792 19.695 9.642 -6.901 1.00 55.46 O ATOM 527 ND2 ASN A 792 20.839 11.568 -6.784 1.00 57.66 N ATOM 528 HD22 ASN A 792 21.214 12.405 -7.274 1.00 0.00 H ATOM 529 HD21 ASN A 792 20.999 11.447 -5.764 1.00 0.00 H ATOM 530 H ASN A 792 18.114 12.499 -8.229 1.00 0.00 H ATOM 531 N LEU A 793 18.546 12.447 -11.471 1.00 32.71 N ATOM 532 CA LEU A 793 18.298 12.517 -12.897 1.00 30.77 C ATOM 533 C LEU A 793 18.682 13.904 -13.412 1.00 33.55 C ATOM 534 O LEU A 793 18.472 14.884 -12.701 1.00 31.31 O ATOM 535 CB LEU A 793 16.835 12.187 -13.232 1.00 30.42 C ATOM 536 CG LEU A 793 16.221 10.933 -12.575 1.00 34.46 C ATOM 537 CD1 LEU A 793 14.785 10.732 -13.013 1.00 32.52 C ATOM 538 CD2 LEU A 793 17.053 9.674 -12.838 1.00 37.21 C ATOM 539 H LEU A 793 17.735 12.439 -10.820 1.00 0.00 H ATOM 540 N PRO A 794 19.307 14.008 -14.614 1.00 31.07 N ATOM 541 CA PRO A 794 19.635 15.347 -15.150 1.00 30.73 C ATOM 542 C PRO A 794 18.373 16.177 -15.385 1.00 33.07 C ATOM 543 O PRO A 794 17.286 15.614 -15.551 1.00 31.97 O ATOM 544 CB PRO A 794 20.380 15.057 -16.463 1.00 32.49 C ATOM 545 CG PRO A 794 20.037 13.677 -16.820 1.00 37.18 C ATOM 546 CD PRO A 794 19.644 12.933 -15.571 1.00 32.37 C ATOM 547 N LEU A 795 18.514 17.512 -15.361 1.00 30.10 N ATOM 548 CA LEU A 795 17.417 18.468 -15.536 1.00 29.20 C ATOM 549 C LEU A 795 16.538 18.199 -16.767 1.00 33.31 C ATOM 550 O LEU A 795 15.312 18.224 -16.644 1.00 33.64 O ATOM 551 CB LEU A 795 17.948 19.911 -15.540 1.00 29.21 C ATOM 552 CG LEU A 795 16.932 21.023 -15.844 1.00 34.04 C ATOM 553 CD1 LEU A 795 15.848 21.126 -14.735 1.00 33.87 C ATOM 554 CD2 LEU A 795 17.630 22.346 -16.091 1.00 36.10 C ATOM 555 H LEU A 795 19.469 17.895 -15.207 1.00 0.00 H ATOM 556 N GLU A 796 17.158 17.934 -17.934 1.00 30.10 N ATOM 557 CA GLU A 796 16.463 17.651 -19.196 1.00 29.44 C ATOM 558 C GLU A 796 15.510 16.457 -19.052 1.00 28.68 C ATOM 559 O GLU A 796 14.399 16.514 -19.563 1.00 27.04 O ATOM 560 CB GLU A 796 17.478 17.376 -20.325 1.00 31.38 C ATOM 561 CG GLU A 796 16.896 17.482 -21.730 1.00 47.32 C ATOM 562 CD GLU A 796 17.723 16.862 -22.844 1.00 77.01 C ATOM 563 OE1 GLU A 796 18.844 17.357 -23.106 1.00 70.89 O ATOM 564 OE2 GLU A 796 17.233 15.897 -23.478 1.00 72.16 O ATOM 565 H GLU A 796 18.198 17.930 -17.941 1.00 0.00 H ATOM 566 N ASP A 797 15.957 15.394 -18.355 1.00 24.13 N ATOM 567 CA ASP A 797 15.194 14.171 -18.114 1.00 24.16 C ATOM 568 C ASP A 797 14.051 14.379 -17.138 1.00 26.88 C ATOM 569 O ASP A 797 12.989 13.804 -17.316 1.00 25.29 O ATOM 570 CB ASP A 797 16.121 13.034 -17.644 1.00 26.18 C ATOM 571 CG ASP A 797 17.024 12.486 -18.739 1.00 31.48 C ATOM 572 OD1 ASP A 797 16.811 12.843 -19.925 1.00 32.60 O ATOM 573 OD2 ASP A 797 17.915 11.670 -18.419 1.00 33.33 O ATOM 574 H ASP A 797 16.917 15.448 -17.959 1.00 0.00 H ATOM 575 N GLN A 798 14.275 15.205 -16.113 1.00 24.28 N ATOM 576 CA GLN A 798 13.280 15.573 -15.119 1.00 23.84 C ATOM 577 C GLN A 798 12.116 16.297 -15.823 1.00 25.37 C ATOM 578 O GLN A 798 10.957 16.016 -15.533 1.00 24.27 O ATOM 579 CB GLN A 798 13.917 16.501 -14.071 1.00 24.60 C ATOM 580 CG GLN A 798 14.853 15.802 -13.102 1.00 30.92 C ATOM 581 CD GLN A 798 15.442 16.782 -12.109 1.00 41.48 C ATOM 582 OE1 GLN A 798 15.241 17.989 -12.185 1.00 33.43 O ATOM 583 NE2 GLN A 798 16.203 16.284 -11.162 1.00 37.75 N ATOM 584 HE22 GLN A 798 16.364 15.258 -11.110 1.00 0.00 H ATOM 585 HE21 GLN A 798 16.644 16.916 -10.464 1.00 0.00 H ATOM 586 H GLN A 798 15.227 15.613 -16.019 1.00 0.00 H ATOM 587 N ILE A 799 12.446 17.194 -16.777 1.00 21.86 N ATOM 588 CA ILE A 799 11.490 17.974 -17.574 1.00 20.94 C ATOM 589 C ILE A 799 10.723 17.026 -18.488 1.00 25.04 C ATOM 590 O ILE A 799 9.489 17.099 -18.550 1.00 24.24 O ATOM 591 CB ILE A 799 12.199 19.108 -18.375 1.00 23.63 C ATOM 592 CG1 ILE A 799 12.682 20.222 -17.432 1.00 23.76 C ATOM 593 CG2 ILE A 799 11.288 19.663 -19.515 1.00 23.30 C ATOM 594 CD1 ILE A 799 13.760 21.098 -17.959 1.00 34.45 C ATOM 595 H ILE A 799 13.458 17.345 -16.962 1.00 0.00 H ATOM 596 N THR A 800 11.466 16.148 -19.197 1.00 22.66 N ATOM 597 CA THR A 800 10.921 15.158 -20.118 1.00 22.65 C ATOM 598 C THR A 800 9.857 14.299 -19.416 1.00 25.68 C ATOM 599 O THR A 800 8.765 14.139 -19.944 1.00 24.69 O ATOM 600 CB THR A 800 12.069 14.342 -20.767 1.00 26.30 C ATOM 601 OG1 THR A 800 12.806 15.200 -21.628 1.00 28.94 O ATOM 602 CG2 THR A 800 11.581 13.163 -21.578 1.00 24.16 C ATOM 603 HG1 THR A 800 13.543 14.690 -22.049 1.00 0.00 H ATOM 604 H THR A 800 12.499 16.181 -19.077 1.00 0.00 H ATOM 605 N LEU A 801 10.178 13.784 -18.231 1.00 23.47 N ATOM 606 CA LEU A 801 9.285 12.910 -17.465 1.00 23.79 C ATOM 607 C LEU A 801 8.023 13.627 -16.988 1.00 26.92 C ATOM 608 O LEU A 801 6.924 13.118 -17.210 1.00 25.99 O ATOM 609 CB LEU A 801 10.043 12.229 -16.323 1.00 23.63 C ATOM 610 CG LEU A 801 11.160 11.271 -16.780 1.00 27.13 C ATOM 611 CD1 LEU A 801 12.121 10.995 -15.652 1.00 26.22 C ATOM 612 CD2 LEU A 801 10.608 9.980 -17.382 1.00 27.30 C ATOM 613 H LEU A 801 11.109 14.013 -17.829 1.00 0.00 H ATOM 614 N ILE A 802 8.172 14.850 -16.445 1.00 23.05 N ATOM 615 CA ILE A 802 7.045 15.678 -16.031 1.00 23.29 C ATOM 616 C ILE A 802 6.112 15.957 -17.240 1.00 26.67 C ATOM 617 O ILE A 802 4.898 15.787 -17.133 1.00 25.56 O ATOM 618 CB ILE A 802 7.534 16.981 -15.327 1.00 25.89 C ATOM 619 CG1 ILE A 802 8.158 16.649 -13.943 1.00 26.85 C ATOM 620 CG2 ILE A 802 6.391 18.013 -15.184 1.00 25.02 C ATOM 621 CD1 ILE A 802 9.054 17.735 -13.356 1.00 33.45 C ATOM 622 H ILE A 802 9.135 15.221 -16.315 1.00 0.00 H ATOM 623 N GLN A 803 6.695 16.341 -18.383 1.00 22.51 N ATOM 624 CA GLN A 803 5.948 16.666 -19.592 1.00 22.17 C ATOM 625 C GLN A 803 5.235 15.467 -20.239 1.00 25.22 C ATOM 626 O GLN A 803 4.126 15.640 -20.753 1.00 23.34 O ATOM 627 CB GLN A 803 6.839 17.377 -20.594 1.00 23.47 C ATOM 628 CG GLN A 803 7.092 18.826 -20.244 1.00 34.01 C ATOM 629 CD GLN A 803 7.942 19.514 -21.281 1.00 51.61 C ATOM 630 OE1 GLN A 803 8.889 18.944 -21.841 1.00 43.53 O ATOM 631 NE2 GLN A 803 7.600 20.750 -21.580 1.00 51.27 N ATOM 632 HE22 GLN A 803 6.800 21.201 -21.092 1.00 0.00 H ATOM 633 HE21 GLN A 803 8.130 21.275 -22.304 1.00 0.00 H ATOM 634 H GLN A 803 7.732 16.411 -18.409 1.00 0.00 H ATOM 635 N TYR A 804 5.838 14.264 -20.182 1.00 22.39 N ATOM 636 CA TYR A 804 5.211 13.050 -20.712 1.00 23.59 C ATOM 637 C TYR A 804 4.117 12.462 -19.791 1.00 26.45 C ATOM 638 O TYR A 804 3.168 11.850 -20.283 1.00 26.58 O ATOM 639 CB TYR A 804 6.269 11.947 -21.003 1.00 26.70 C ATOM 640 CG TYR A 804 6.927 12.034 -22.364 1.00 33.03 C ATOM 641 CD1 TYR A 804 6.168 12.167 -23.523 1.00 36.01 C ATOM 642 CD2 TYR A 804 8.308 11.937 -22.499 1.00 35.31 C ATOM 643 CE1 TYR A 804 6.773 12.292 -24.774 1.00 38.50 C ATOM 644 CE2 TYR A 804 8.925 12.043 -23.746 1.00 36.36 C ATOM 645 CZ TYR A 804 8.154 12.228 -24.880 1.00 45.26 C ATOM 646 OH TYR A 804 8.762 12.323 -26.108 1.00 48.00 O ATOM 647 HH TYR A 804 8.073 12.453 -26.807 1.00 0.00 H ATOM 648 H TYR A 804 6.780 14.194 -19.747 1.00 0.00 H ATOM 649 N SER A 805 4.285 12.576 -18.474 1.00 21.37 N ATOM 650 CA SER A 805 3.393 11.960 -17.477 1.00 20.06 C ATOM 651 C SER A 805 2.336 12.865 -16.847 1.00 21.58 C ATOM 652 O SER A 805 1.522 12.355 -16.075 1.00 20.42 O ATOM 653 CB SER A 805 4.232 11.354 -16.347 1.00 21.39 C ATOM 654 OG SER A 805 4.893 12.352 -15.575 1.00 21.85 O ATOM 655 HG SER A 805 5.496 12.875 -16.161 1.00 0.00 H ATOM 656 H SER A 805 5.093 13.133 -18.130 1.00 0.00 H ATOM 657 N TRP A 806 2.360 14.178 -17.110 1.00 19.94 N ATOM 658 CA TRP A 806 1.458 15.152 -16.440 1.00 20.24 C ATOM 659 C TRP A 806 -0.025 14.708 -16.361 1.00 25.04 C ATOM 660 O TRP A 806 -0.613 14.713 -15.270 1.00 23.88 O ATOM 661 CB TRP A 806 1.590 16.564 -17.042 1.00 19.21 C ATOM 662 CG TRP A 806 0.933 16.758 -18.371 1.00 20.46 C ATOM 663 CD1 TRP A 806 1.358 16.268 -19.568 1.00 23.34 C ATOM 664 CD2 TRP A 806 -0.301 17.438 -18.631 1.00 21.00 C ATOM 665 NE1 TRP A 806 0.504 16.650 -20.565 1.00 22.58 N ATOM 666 CE2 TRP A 806 -0.537 17.356 -20.019 1.00 24.59 C ATOM 667 CE3 TRP A 806 -1.212 18.158 -17.830 1.00 22.26 C ATOM 668 CZ2 TRP A 806 -1.661 17.934 -20.626 1.00 23.64 C ATOM 669 CZ3 TRP A 806 -2.308 18.749 -18.437 1.00 23.71 C ATOM 670 CH2 TRP A 806 -2.516 18.650 -19.820 1.00 24.06 C ATOM 671 HE1 TRP A 806 0.625 16.439 -21.576 1.00 0.00 H ATOM 672 H TRP A 806 3.039 14.532 -17.814 1.00 0.00 H ATOM 673 N MET A 807 -0.600 14.275 -17.500 1.00 22.00 N ATOM 674 CA MET A 807 -1.983 13.827 -17.593 1.00 19.59 C ATOM 675 C MET A 807 -2.234 12.585 -16.745 1.00 22.23 C ATOM 676 O MET A 807 -3.279 12.496 -16.097 1.00 22.02 O ATOM 677 CB MET A 807 -2.402 13.634 -19.069 1.00 21.50 C ATOM 678 CG MET A 807 -3.898 13.348 -19.269 1.00 24.08 C ATOM 679 SD MET A 807 -4.994 14.727 -18.816 1.00 27.36 S ATOM 680 CE MET A 807 -5.001 15.613 -20.376 1.00 24.14 C ATOM 681 H MET A 807 -0.022 14.260 -18.364 1.00 0.00 H ATOM 682 N SER A 808 -1.270 11.641 -16.735 1.00 18.27 N ATOM 683 CA SER A 808 -1.335 10.406 -15.952 1.00 17.57 C ATOM 684 C SER A 808 -1.390 10.707 -14.452 1.00 21.34 C ATOM 685 O SER A 808 -2.175 10.086 -13.734 1.00 20.68 O ATOM 686 CB SER A 808 -0.145 9.492 -16.260 1.00 19.81 C ATOM 687 OG SER A 808 0.153 9.406 -17.642 1.00 27.85 O ATOM 688 HG SER A 808 0.372 10.307 -17.988 1.00 0.00 H ATOM 689 H SER A 808 -0.426 11.801 -17.322 1.00 0.00 H ATOM 690 N LEU A 809 -0.561 11.660 -13.992 1.00 19.06 N ATOM 691 CA LEU A 809 -0.471 12.058 -12.587 1.00 20.54 C ATOM 692 C LEU A 809 -1.740 12.746 -12.128 1.00 23.00 C ATOM 693 O LEU A 809 -2.287 12.364 -11.090 1.00 21.49 O ATOM 694 CB LEU A 809 0.762 12.960 -12.321 1.00 21.12 C ATOM 695 CG LEU A 809 2.163 12.386 -12.624 1.00 24.76 C ATOM 696 CD1 LEU A 809 3.223 13.450 -12.448 1.00 23.94 C ATOM 697 CD2 LEU A 809 2.493 11.218 -11.729 1.00 24.48 C ATOM 698 H LEU A 809 0.054 12.144 -14.677 1.00 0.00 H ATOM 699 N LEU A 810 -2.244 13.712 -12.937 1.00 20.61 N ATOM 700 CA LEU A 810 -3.471 14.448 -12.652 1.00 20.75 C ATOM 701 C LEU A 810 -4.702 13.545 -12.595 1.00 23.59 C ATOM 702 O LEU A 810 -5.494 13.666 -11.664 1.00 22.11 O ATOM 703 CB LEU A 810 -3.678 15.633 -13.622 1.00 20.16 C ATOM 704 CG LEU A 810 -2.628 16.775 -13.545 1.00 25.28 C ATOM 705 CD1 LEU A 810 -3.085 17.987 -14.317 1.00 25.59 C ATOM 706 CD2 LEU A 810 -2.253 17.156 -12.099 1.00 23.41 C ATOM 707 H LEU A 810 -1.726 13.941 -13.810 1.00 0.00 H ATOM 708 N SER A 811 -4.832 12.617 -13.554 1.00 22.30 N ATOM 709 CA SER A 811 -5.975 11.702 -13.593 1.00 22.85 C ATOM 710 C SER A 811 -5.933 10.668 -12.469 1.00 24.90 C ATOM 711 O SER A 811 -6.980 10.333 -11.910 1.00 23.74 O ATOM 712 CB SER A 811 -6.144 11.062 -14.969 1.00 26.81 C ATOM 713 OG SER A 811 -4.958 10.438 -15.426 1.00 40.21 O ATOM 714 HG SER A 811 -4.235 11.112 -15.489 1.00 0.00 H ATOM 715 H SER A 811 -4.101 12.545 -14.290 1.00 0.00 H ATOM 716 N PHE A 812 -4.724 10.219 -12.086 1.00 20.90 N ATOM 717 CA PHE A 812 -4.580 9.244 -11.008 1.00 19.20 C ATOM 718 C PHE A 812 -4.901 9.866 -9.665 1.00 20.77 C ATOM 719 O PHE A 812 -5.448 9.192 -8.787 1.00 18.36 O ATOM 720 CB PHE A 812 -3.165 8.657 -10.989 1.00 19.88 C ATOM 721 CG PHE A 812 -3.030 7.352 -10.239 1.00 19.68 C ATOM 722 CD1 PHE A 812 -3.683 6.203 -10.684 1.00 22.48 C ATOM 723 CD2 PHE A 812 -2.191 7.253 -9.130 1.00 19.78 C ATOM 724 CE1 PHE A 812 -3.513 4.980 -10.020 1.00 23.89 C ATOM 725 CE2 PHE A 812 -2.020 6.032 -8.465 1.00 23.00 C ATOM 726 CZ PHE A 812 -2.694 4.907 -8.903 1.00 22.16 C ATOM 727 H PHE A 812 -3.873 10.574 -12.568 1.00 0.00 H ATOM 728 N ALA A 813 -4.523 11.142 -9.500 1.00 18.09 N ATOM 729 CA ALA A 813 -4.780 11.891 -8.280 1.00 18.72 C ATOM 730 C ALA A 813 -6.279 12.210 -8.178 1.00 23.22 C ATOM 731 O ALA A 813 -6.832 12.172 -7.072 1.00 23.43 O ATOM 732 CB ALA A 813 -3.921 13.150 -8.231 1.00 18.87 C ATOM 733 H ALA A 813 -4.024 11.617 -10.279 1.00 0.00 H ATOM 734 N LEU A 814 -6.943 12.465 -9.342 1.00 20.59 N ATOM 735 CA LEU A 814 -8.380 12.689 -9.421 1.00 20.81 C ATOM 736 C LEU A 814 -9.118 11.419 -8.938 1.00 22.23 C ATOM 737 O LEU A 814 -10.041 11.524 -8.129 1.00 20.09 O ATOM 738 CB LEU A 814 -8.832 13.052 -10.860 1.00 21.21 C ATOM 739 CG LEU A 814 -10.373 13.019 -11.135 1.00 26.24 C ATOM 740 CD1 LEU A 814 -11.128 14.072 -10.314 1.00 24.75 C ATOM 741 CD2 LEU A 814 -10.676 13.212 -12.617 1.00 30.17 C ATOM 742 H LEU A 814 -6.392 12.502 -10.223 1.00 0.00 H ATOM 743 N SER A 815 -8.702 10.242 -9.425 1.00 19.02 N ATOM 744 CA SER A 815 -9.298 8.967 -9.035 1.00 19.13 C ATOM 745 C SER A 815 -9.157 8.712 -7.540 1.00 23.63 C ATOM 746 O SER A 815 -10.119 8.265 -6.908 1.00 23.58 O ATOM 747 CB SER A 815 -8.702 7.823 -9.842 1.00 21.69 C ATOM 748 OG SER A 815 -9.514 7.603 -10.979 1.00 26.59 O ATOM 749 HG SER A 815 -9.137 6.860 -11.514 1.00 0.00 H ATOM 750 H SER A 815 -7.920 10.236 -10.111 1.00 0.00 H ATOM 751 N TRP A 816 -7.984 9.047 -6.969 1.00 20.84 N ATOM 752 CA TRP A 816 -7.725 8.903 -5.528 1.00 20.45 C ATOM 753 C TRP A 816 -8.644 9.836 -4.702 1.00 24.05 C ATOM 754 O TRP A 816 -9.192 9.404 -3.688 1.00 23.66 O ATOM 755 CB TRP A 816 -6.256 9.196 -5.200 1.00 18.68 C ATOM 756 CG TRP A 816 -5.980 9.124 -3.726 1.00 19.33 C ATOM 757 CD1 TRP A 816 -5.891 10.172 -2.851 1.00 22.42 C ATOM 758 CD2 TRP A 816 -5.937 7.930 -2.933 1.00 18.84 C ATOM 759 NE1 TRP A 816 -5.765 9.699 -1.561 1.00 22.47 N ATOM 760 CE2 TRP A 816 -5.780 8.325 -1.585 1.00 23.43 C ATOM 761 CE3 TRP A 816 -6.037 6.557 -3.232 1.00 19.56 C ATOM 762 CZ2 TRP A 816 -5.687 7.397 -0.540 1.00 22.53 C ATOM 763 CZ3 TRP A 816 -5.904 5.637 -2.199 1.00 20.75 C ATOM 764 CH2 TRP A 816 -5.760 6.058 -0.871 1.00 21.47 C ATOM 765 HE1 TRP A 816 -5.673 10.287 -0.708 1.00 0.00 H ATOM 766 H TRP A 816 -7.227 9.425 -7.574 1.00 0.00 H ATOM 767 N ARG A 817 -8.768 11.111 -5.120 1.00 20.29 N ATOM 768 CA ARG A 817 -9.622 12.099 -4.455 1.00 20.66 C ATOM 769 C ARG A 817 -11.071 11.648 -4.528 1.00 24.81 C ATOM 770 O ARG A 817 -11.803 11.778 -3.544 1.00 25.76 O ATOM 771 CB ARG A 817 -9.486 13.488 -5.094 1.00 19.13 C ATOM 772 CG ARG A 817 -8.260 14.244 -4.652 1.00 20.49 C ATOM 773 CD ARG A 817 -8.332 15.726 -5.015 1.00 21.97 C ATOM 774 NE ARG A 817 -8.685 15.969 -6.422 1.00 28.33 N ATOM 775 CZ ARG A 817 -7.842 15.926 -7.455 1.00 31.73 C ATOM 776 NH1 ARG A 817 -6.576 15.584 -7.274 1.00 20.10 N ATOM 777 NH2 ARG A 817 -8.274 16.190 -8.681 1.00 21.10 N ATOM 778 HE ARG A 817 -9.679 16.194 -6.630 1.00 0.00 H ATOM 779 HH12 ARG A 817 -5.925 15.553 -8.084 1.00 0.00 H ATOM 780 HH11 ARG A 817 -6.233 15.347 -6.321 1.00 0.00 H ATOM 781 HH22 ARG A 817 -7.614 16.155 -9.484 1.00 0.00 H ATOM 782 HH21 ARG A 817 -9.273 16.432 -8.840 1.00 0.00 H ATOM 783 H ARG A 817 -8.230 11.409 -5.958 1.00 0.00 H ATOM 784 N SER A 818 -11.468 11.088 -5.688 1.00 20.83 N ATOM 785 CA SER A 818 -12.808 10.572 -5.916 1.00 20.91 C ATOM 786 C SER A 818 -13.116 9.377 -5.000 1.00 25.24 C ATOM 787 O SER A 818 -14.191 9.323 -4.398 1.00 24.92 O ATOM 788 CB SER A 818 -13.023 10.254 -7.394 1.00 22.26 C ATOM 789 OG SER A 818 -12.775 11.421 -8.162 1.00 28.00 O ATOM 790 HG SER A 818 -11.842 11.718 -8.017 1.00 0.00 H ATOM 791 H SER A 818 -10.778 11.021 -6.463 1.00 0.00 H ATOM 792 N TYR A 819 -12.128 8.487 -4.827 1.00 21.56 N ATOM 793 CA TYR A 819 -12.227 7.307 -3.977 1.00 21.74 C ATOM 794 C TYR A 819 -12.225 7.679 -2.497 1.00 27.11 C ATOM 795 O TYR A 819 -13.026 7.143 -1.744 1.00 27.30 O ATOM 796 CB TYR A 819 -11.085 6.330 -4.324 1.00 22.78 C ATOM 797 CG TYR A 819 -10.781 5.264 -3.295 1.00 25.70 C ATOM 798 CD1 TYR A 819 -11.704 4.262 -3.007 1.00 28.37 C ATOM 799 CD2 TYR A 819 -9.524 5.178 -2.706 1.00 26.97 C ATOM 800 CE1 TYR A 819 -11.409 3.242 -2.104 1.00 29.29 C ATOM 801 CE2 TYR A 819 -9.210 4.152 -1.819 1.00 28.29 C ATOM 802 CZ TYR A 819 -10.157 3.184 -1.524 1.00 34.24 C ATOM 803 OH TYR A 819 -9.869 2.176 -0.645 1.00 37.26 O ATOM 804 HH TYR A 819 -9.098 1.655 -0.983 1.00 0.00 H ATOM 805 H TYR A 819 -11.233 8.649 -5.332 1.00 0.00 H ATOM 806 N LYS A 820 -11.335 8.582 -2.082 1.00 25.14 N ATOM 807 CA LYS A 820 -11.196 8.967 -0.682 1.00 26.27 C ATOM 808 C LYS A 820 -12.384 9.772 -0.151 1.00 30.84 C ATOM 809 O LYS A 820 -12.892 9.471 0.932 1.00 30.94 O ATOM 810 CB LYS A 820 -9.871 9.730 -0.469 1.00 29.86 C ATOM 811 CG LYS A 820 -9.322 9.668 0.949 1.00 47.52 C ATOM 812 CD LYS A 820 -8.718 11.009 1.359 1.00 62.47 C ATOM 813 CE LYS A 820 -7.938 10.913 2.646 1.00 75.45 C ATOM 814 NZ LYS A 820 -7.404 12.232 3.070 1.00 86.22 N ATOM 815 HZ1 LYS A 820 -6.771 12.602 2.332 1.00 0.00 H ATOM 816 HZ2 LYS A 820 -8.193 12.894 3.215 1.00 0.00 H ATOM 817 HZ3 LYS A 820 -6.875 12.121 3.958 1.00 0.00 H ATOM 818 H LYS A 820 -10.714 9.030 -2.786 1.00 0.00 H ATOM 819 N HIS A 821 -12.831 10.768 -0.917 1.00 28.40 N ATOM 820 CA HIS A 821 -13.890 11.686 -0.504 1.00 28.99 C ATOM 821 C HIS A 821 -15.320 11.289 -0.840 1.00 31.92 C ATOM 822 O HIS A 821 -16.228 11.790 -0.178 1.00 31.25 O ATOM 823 CB HIS A 821 -13.626 13.088 -1.058 1.00 30.29 C ATOM 824 CG HIS A 821 -12.317 13.660 -0.626 1.00 34.55 C ATOM 825 ND1 HIS A 821 -11.301 13.886 -1.532 1.00 36.95 N ATOM 826 CD2 HIS A 821 -11.878 13.983 0.612 1.00 37.33 C ATOM 827 CE1 HIS A 821 -10.282 14.342 -0.825 1.00 36.71 C ATOM 828 NE2 HIS A 821 -10.574 14.397 0.472 1.00 37.33 N ATOM 829 H HIS A 821 -12.404 10.898 -1.856 1.00 0.00 H ATOM 830 N THR A 822 -15.555 10.489 -1.896 1.00 27.09 N ATOM 831 CA THR A 822 -16.943 10.174 -2.274 1.00 26.89 C ATOM 832 C THR A 822 -17.199 8.680 -2.406 1.00 30.89 C ATOM 833 O THR A 822 -18.268 8.310 -2.862 1.00 31.43 O ATOM 834 CB THR A 822 -17.371 10.895 -3.598 1.00 28.65 C ATOM 835 OG1 THR A 822 -16.891 10.173 -4.734 1.00 27.21 O ATOM 836 CG2 THR A 822 -16.977 12.398 -3.667 1.00 24.81 C ATOM 837 HG1 THR A 822 -15.903 10.122 -4.698 1.00 0.00 H ATOM 838 H THR A 822 -14.762 10.096 -2.442 1.00 0.00 H ATOM 839 N ASN A 823 -16.216 7.837 -2.045 1.00 26.93 N ATOM 840 CA ASN A 823 -16.222 6.389 -2.250 1.00 28.06 C ATOM 841 C ASN A 823 -16.475 6.057 -3.748 1.00 31.73 C ATOM 842 O ASN A 823 -17.217 5.127 -4.088 1.00 31.13 O ATOM 843 CB ASN A 823 -17.149 5.634 -1.276 1.00 31.49 C ATOM 844 CG ASN A 823 -16.861 4.154 -1.239 1.00 52.70 C ATOM 845 OD1 ASN A 823 -17.707 3.321 -1.579 1.00 53.25 O ATOM 846 ND2 ASN A 823 -15.629 3.801 -0.920 1.00 41.29 N ATOM 847 HD22 ASN A 823 -14.937 4.525 -0.637 1.00 0.00 H ATOM 848 HD21 ASN A 823 -15.350 2.800 -0.952 1.00 0.00 H ATOM 849 H ASN A 823 -15.381 8.249 -1.581 1.00 0.00 H ATOM 850 N SER A 824 -15.849 6.876 -4.629 1.00 27.67 N ATOM 851 CA SER A 824 -15.860 6.825 -6.096 1.00 27.39 C ATOM 852 C SER A 824 -17.254 6.984 -6.711 1.00 32.66 C ATOM 853 O SER A 824 -17.485 6.519 -7.830 1.00 33.07 O ATOM 854 CB SER A 824 -15.163 5.567 -6.613 1.00 28.42 C ATOM 855 OG SER A 824 -13.891 5.400 -6.006 1.00 26.74 O ATOM 856 HG SER A 824 -13.464 4.580 -6.359 1.00 0.00 H ATOM 857 H SER A 824 -15.286 7.643 -4.209 1.00 0.00 H ATOM 858 N GLN A 825 -18.170 7.668 -6.005 1.00 29.45 N ATOM 859 CA GLN A 825 -19.519 7.926 -6.517 1.00 29.73 C ATOM 860 C GLN A 825 -19.491 9.073 -7.512 1.00 33.50 C ATOM 861 O GLN A 825 -20.225 9.054 -8.504 1.00 33.62 O ATOM 862 CB GLN A 825 -20.485 8.256 -5.377 1.00 31.55 C ATOM 863 CG GLN A 825 -20.942 7.024 -4.593 1.00 54.51 C ATOM 864 CD GLN A 825 -21.595 7.387 -3.280 1.00 82.72 C ATOM 865 OE1 GLN A 825 -22.386 8.335 -3.182 1.00 78.94 O ATOM 866 NE2 GLN A 825 -21.291 6.619 -2.241 1.00 79.52 N ATOM 867 HE22 GLN A 825 -20.623 5.830 -2.355 1.00 0.00 H ATOM 868 HE21 GLN A 825 -21.721 6.806 -1.313 1.00 0.00 H ATOM 869 H GLN A 825 -17.913 8.027 -5.063 1.00 0.00 H ATOM 870 N PHE A 826 -18.635 10.071 -7.247 1.00 28.24 N ATOM 871 CA PHE A 826 -18.487 11.259 -8.076 1.00 28.17 C ATOM 872 C PHE A 826 -17.020 11.482 -8.440 1.00 28.63 C ATOM 873 O PHE A 826 -16.146 10.828 -7.878 1.00 27.37 O ATOM 874 CB PHE A 826 -19.015 12.496 -7.312 1.00 30.96 C ATOM 875 CG PHE A 826 -20.432 12.364 -6.805 1.00 34.48 C ATOM 876 CD1 PHE A 826 -21.516 12.550 -7.661 1.00 38.49 C ATOM 877 CD2 PHE A 826 -20.686 12.029 -5.478 1.00 38.77 C ATOM 878 CE1 PHE A 826 -22.831 12.404 -7.197 1.00 40.30 C ATOM 879 CE2 PHE A 826 -22.003 11.887 -5.012 1.00 42.21 C ATOM 880 CZ PHE A 826 -23.066 12.074 -5.877 1.00 40.31 C ATOM 881 H PHE A 826 -18.041 9.992 -6.397 1.00 0.00 H ATOM 882 N LEU A 827 -16.759 12.418 -9.362 1.00 23.74 N ATOM 883 CA LEU A 827 -15.399 12.795 -9.703 1.00 23.38 C ATOM 884 C LEU A 827 -15.038 14.048 -8.880 1.00 27.56 C ATOM 885 O LEU A 827 -15.542 15.150 -9.142 1.00 25.19 O ATOM 886 CB LEU A 827 -15.181 12.990 -11.225 1.00 22.79 C ATOM 887 CG LEU A 827 -15.248 11.742 -12.116 1.00 26.15 C ATOM 888 CD1 LEU A 827 -14.998 12.104 -13.550 1.00 26.55 C ATOM 889 CD2 LEU A 827 -14.227 10.669 -11.694 1.00 27.95 C ATOM 890 H LEU A 827 -17.551 12.887 -9.846 1.00 0.00 H ATOM 891 N TYR A 828 -14.180 13.848 -7.853 1.00 24.47 N ATOM 892 CA TYR A 828 -13.743 14.910 -6.941 1.00 23.30 C ATOM 893 C TYR A 828 -12.513 15.695 -7.487 1.00 25.89 C ATOM 894 O TYR A 828 -11.380 15.420 -7.108 1.00 25.06 O ATOM 895 CB TYR A 828 -13.475 14.304 -5.550 1.00 23.42 C ATOM 896 CG TYR A 828 -13.424 15.299 -4.406 1.00 23.52 C ATOM 897 CD1 TYR A 828 -12.271 16.043 -4.150 1.00 24.33 C ATOM 898 CD2 TYR A 828 -14.489 15.421 -3.516 1.00 23.16 C ATOM 899 CE1 TYR A 828 -12.212 16.942 -3.085 1.00 23.32 C ATOM 900 CE2 TYR A 828 -14.419 16.279 -2.418 1.00 23.11 C ATOM 901 CZ TYR A 828 -13.283 17.045 -2.214 1.00 26.56 C ATOM 902 OH TYR A 828 -13.217 17.880 -1.132 1.00 28.26 O ATOM 903 HH TYR A 828 -13.306 17.349 -0.301 1.00 0.00 H ATOM 904 H TYR A 828 -13.810 12.888 -7.702 1.00 0.00 H ATOM 905 N PHE A 829 -12.746 16.666 -8.379 1.00 21.27 N ATOM 906 CA PHE A 829 -11.667 17.478 -8.944 1.00 20.94 C ATOM 907 C PHE A 829 -11.048 18.344 -7.855 1.00 24.29 C ATOM 908 O PHE A 829 -9.834 18.411 -7.735 1.00 23.11 O ATOM 909 CB PHE A 829 -12.180 18.363 -10.095 1.00 22.22 C ATOM 910 CG PHE A 829 -12.420 17.575 -11.350 1.00 23.19 C ATOM 911 CD1 PHE A 829 -11.368 17.284 -12.221 1.00 25.13 C ATOM 912 CD2 PHE A 829 -13.681 17.061 -11.636 1.00 24.43 C ATOM 913 CE1 PHE A 829 -11.584 16.521 -13.371 1.00 25.85 C ATOM 914 CE2 PHE A 829 -13.893 16.283 -12.781 1.00 27.32 C ATOM 915 CZ PHE A 829 -12.846 16.025 -13.640 1.00 25.69 C ATOM 916 H PHE A 829 -13.725 16.849 -8.680 1.00 0.00 H ATOM 917 N ALA A 830 -11.908 18.994 -7.059 1.00 20.56 N ATOM 918 CA ALA A 830 -11.518 19.870 -5.983 1.00 20.78 C ATOM 919 C ALA A 830 -12.695 19.944 -4.994 1.00 25.51 C ATOM 920 O ALA A 830 -13.775 19.496 -5.361 1.00 24.09 O ATOM 921 CB ALA A 830 -11.196 21.249 -6.556 1.00 20.70 C ATOM 922 H ALA A 830 -12.925 18.857 -7.229 1.00 0.00 H ATOM 923 N PRO A 831 -12.550 20.518 -3.766 1.00 24.35 N ATOM 924 CA PRO A 831 -13.712 20.615 -2.855 1.00 24.10 C ATOM 925 C PRO A 831 -14.862 21.467 -3.415 1.00 27.02 C ATOM 926 O PRO A 831 -16.021 21.210 -3.092 1.00 25.49 O ATOM 927 CB PRO A 831 -13.110 21.271 -1.603 1.00 25.72 C ATOM 928 CG PRO A 831 -11.665 20.939 -1.664 1.00 29.45 C ATOM 929 CD PRO A 831 -11.338 21.064 -3.118 1.00 25.55 C ATOM 930 N ASP A 832 -14.537 22.477 -4.257 1.00 22.26 N ATOM 931 CA ASP A 832 -15.502 23.379 -4.892 1.00 22.55 C ATOM 932 C ASP A 832 -15.917 22.894 -6.313 1.00 26.89 C ATOM 933 O ASP A 832 -16.673 23.586 -6.989 1.00 27.14 O ATOM 934 CB ASP A 832 -14.934 24.830 -4.925 1.00 24.60 C ATOM 935 CG ASP A 832 -13.622 25.008 -5.687 1.00 24.51 C ATOM 936 OD1 ASP A 832 -12.829 24.045 -5.746 1.00 23.41 O ATOM 937 OD2 ASP A 832 -13.372 26.121 -6.183 1.00 29.06 O ATOM 938 H ASP A 832 -13.529 22.623 -4.468 1.00 0.00 H ATOM 939 N LEU A 833 -15.417 21.719 -6.768 1.00 24.20 N ATOM 940 CA LEU A 833 -15.747 21.184 -8.094 1.00 24.57 C ATOM 941 C LEU A 833 -15.842 19.659 -8.100 1.00 26.94 C ATOM 942 O LEU A 833 -14.861 18.942 -8.333 1.00 25.64 O ATOM 943 CB LEU A 833 -14.803 21.718 -9.193 1.00 25.33 C ATOM 944 CG LEU A 833 -15.178 21.380 -10.650 1.00 30.25 C ATOM 945 CD1 LEU A 833 -16.561 21.924 -11.019 1.00 30.73 C ATOM 946 CD2 LEU A 833 -14.134 21.890 -11.602 1.00 32.37 C ATOM 947 H LEU A 833 -14.776 21.177 -6.155 1.00 0.00 H ATOM 948 N VAL A 834 -17.055 19.170 -7.808 1.00 24.45 N ATOM 949 CA VAL A 834 -17.350 17.743 -7.750 1.00 24.80 C ATOM 950 C VAL A 834 -18.324 17.427 -8.895 1.00 30.76 C ATOM 951 O VAL A 834 -19.407 18.001 -8.951 1.00 30.96 O ATOM 952 CB VAL A 834 -17.836 17.290 -6.343 1.00 27.37 C ATOM 953 CG1 VAL A 834 -17.987 15.770 -6.277 1.00 26.52 C ATOM 954 CG2 VAL A 834 -16.872 17.771 -5.254 1.00 26.93 C ATOM 955 H VAL A 834 -17.825 19.842 -7.613 1.00 0.00 H ATOM 956 N PHE A 835 -17.892 16.588 -9.850 1.00 27.10 N ATOM 957 CA PHE A 835 -18.707 16.251 -11.016 1.00 27.17 C ATOM 958 C PHE A 835 -19.689 15.117 -10.738 1.00 32.36 C ATOM 959 O PHE A 835 -19.306 14.031 -10.282 1.00 31.76 O ATOM 960 CB PHE A 835 -17.813 15.849 -12.210 1.00 28.05 C ATOM 961 CG PHE A 835 -17.365 16.926 -13.171 1.00 28.23 C ATOM 962 CD1 PHE A 835 -17.070 18.209 -12.719 1.00 29.42 C ATOM 963 CD2 PHE A 835 -17.113 16.625 -14.506 1.00 29.35 C ATOM 964 CE1 PHE A 835 -16.635 19.199 -13.610 1.00 30.01 C ATOM 965 CE2 PHE A 835 -16.678 17.619 -15.397 1.00 31.28 C ATOM 966 CZ PHE A 835 -16.445 18.897 -14.942 1.00 28.40 C ATOM 967 H PHE A 835 -16.947 16.164 -9.757 1.00 0.00 H ATOM 968 N ASN A 836 -20.952 15.381 -11.055 1.00 31.02 N ATOM 969 CA ASN A 836 -22.065 14.423 -11.055 1.00 31.46 C ATOM 970 C ASN A 836 -22.367 14.180 -12.554 1.00 33.10 C ATOM 971 O ASN A 836 -21.649 14.723 -13.402 1.00 30.41 O ATOM 972 CB ASN A 836 -23.286 15.013 -10.328 1.00 33.70 C ATOM 973 CG ASN A 836 -23.780 16.344 -10.869 1.00 51.73 C ATOM 974 OD1 ASN A 836 -23.140 17.018 -11.690 1.00 40.02 O ATOM 975 ND2 ASN A 836 -24.944 16.750 -10.410 1.00 48.12 N ATOM 976 HD22 ASN A 836 -25.463 16.168 -9.722 1.00 0.00 H ATOM 977 HD21 ASN A 836 -25.345 17.653 -10.735 1.00 0.00 H ATOM 978 H ASN A 836 -21.174 16.359 -11.329 1.00 0.00 H ATOM 979 N GLU A 837 -23.429 13.418 -12.873 1.00 30.92 N ATOM 980 CA GLU A 837 -23.856 13.111 -14.247 1.00 30.78 C ATOM 981 C GLU A 837 -24.037 14.372 -15.100 1.00 32.63 C ATOM 982 O GLU A 837 -23.593 14.394 -16.240 1.00 31.19 O ATOM 983 CB GLU A 837 -25.160 12.285 -14.251 1.00 32.22 C ATOM 984 CG GLU A 837 -25.002 10.862 -13.724 1.00 43.14 C ATOM 985 CD GLU A 837 -24.444 9.826 -14.683 1.00 58.54 C ATOM 986 OE1 GLU A 837 -24.351 10.119 -15.895 1.00 48.53 O ATOM 987 OE2 GLU A 837 -24.153 8.695 -14.231 1.00 53.83 O ATOM 988 H GLU A 837 -23.988 13.017 -12.093 1.00 0.00 H ATOM 989 N GLU A 838 -24.675 15.411 -14.533 1.00 29.27 N ATOM 990 CA GLU A 838 -24.955 16.697 -15.168 1.00 28.76 C ATOM 991 C GLU A 838 -23.656 17.383 -15.630 1.00 31.68 C ATOM 992 O GLU A 838 -23.564 17.787 -16.789 1.00 29.86 O ATOM 993 CB GLU A 838 -25.785 17.580 -14.202 1.00 30.18 C ATOM 994 CG GLU A 838 -25.849 19.067 -14.523 1.00 41.05 C ATOM 995 CD GLU A 838 -26.924 19.531 -15.484 1.00 67.88 C ATOM 996 OE1 GLU A 838 -27.259 20.737 -15.441 1.00 76.42 O ATOM 997 OE2 GLU A 838 -27.423 18.708 -16.286 1.00 62.50 O ATOM 998 H GLU A 838 -24.999 15.288 -13.552 1.00 0.00 H ATOM 999 N LYS A 839 -22.652 17.490 -14.736 1.00 29.00 N ATOM 1000 CA LYS A 839 -21.374 18.124 -15.075 1.00 28.59 C ATOM 1001 C LYS A 839 -20.553 17.292 -16.075 1.00 30.25 C ATOM 1002 O LYS A 839 -19.916 17.871 -16.944 1.00 28.68 O ATOM 1003 CB LYS A 839 -20.580 18.507 -13.826 1.00 30.83 C ATOM 1004 CG LYS A 839 -20.998 19.875 -13.313 1.00 38.31 C ATOM 1005 CD LYS A 839 -20.343 20.230 -12.014 1.00 46.06 C ATOM 1006 CE LYS A 839 -20.793 21.588 -11.538 1.00 52.15 C ATOM 1007 NZ LYS A 839 -22.198 21.583 -11.052 1.00 57.61 N ATOM 1008 HZ1 LYS A 839 -22.829 21.288 -11.824 1.00 0.00 H ATOM 1009 HZ2 LYS A 839 -22.286 20.918 -10.257 1.00 0.00 H ATOM 1010 HZ3 LYS A 839 -22.458 22.539 -10.737 1.00 0.00 H ATOM 1011 H LYS A 839 -22.788 17.111 -13.777 1.00 0.00 H ATOM 1012 N MET A 840 -20.662 15.952 -16.025 1.00 28.50 N ATOM 1013 CA MET A 840 -19.992 15.063 -16.989 1.00 29.13 C ATOM 1014 C MET A 840 -20.546 15.332 -18.398 1.00 34.20 C ATOM 1015 O MET A 840 -19.787 15.314 -19.374 1.00 35.26 O ATOM 1016 CB MET A 840 -20.204 13.599 -16.608 1.00 31.80 C ATOM 1017 CG MET A 840 -19.481 13.200 -15.354 1.00 36.75 C ATOM 1018 SD MET A 840 -20.099 11.659 -14.654 1.00 42.25 S ATOM 1019 CE MET A 840 -19.341 10.499 -15.706 1.00 39.35 C ATOM 1020 H MET A 840 -21.243 15.527 -15.275 1.00 0.00 H ATOM 1021 N HIS A 841 -21.864 15.632 -18.484 1.00 29.43 N ATOM 1022 CA HIS A 841 -22.555 15.957 -19.730 1.00 29.02 C ATOM 1023 C HIS A 841 -22.224 17.363 -20.234 1.00 33.77 C ATOM 1024 O HIS A 841 -21.833 17.518 -21.396 1.00 33.18 O ATOM 1025 CB HIS A 841 -24.077 15.754 -19.588 1.00 29.40 C ATOM 1026 CG HIS A 841 -24.502 14.324 -19.658 1.00 32.41 C ATOM 1027 ND1 HIS A 841 -24.303 13.571 -20.799 1.00 34.13 N ATOM 1028 CD2 HIS A 841 -25.120 13.556 -18.731 1.00 34.05 C ATOM 1029 CE1 HIS A 841 -24.763 12.363 -20.519 1.00 33.21 C ATOM 1030 NE2 HIS A 841 -25.252 12.304 -19.282 1.00 33.64 N ATOM 1031 H HIS A 841 -22.421 15.631 -17.606 1.00 0.00 H ATOM 1032 N GLN A 842 -22.362 18.378 -19.354 1.00 31.79 N ATOM 1033 CA GLN A 842 -22.115 19.792 -19.655 1.00 31.93 C ATOM 1034 C GLN A 842 -20.681 20.091 -20.117 1.00 36.26 C ATOM 1035 O GLN A 842 -20.489 21.013 -20.900 1.00 36.25 O ATOM 1036 CB GLN A 842 -22.484 20.694 -18.466 1.00 33.38 C ATOM 1037 CG GLN A 842 -23.973 20.747 -18.126 1.00 55.86 C ATOM 1038 CD GLN A 842 -24.254 21.500 -16.841 1.00 79.11 C ATOM 1039 OE1 GLN A 842 -23.526 21.395 -15.840 1.00 77.37 O ATOM 1040 NE2 GLN A 842 -25.343 22.258 -16.831 1.00 68.51 N ATOM 1041 HE22 GLN A 842 -25.935 22.329 -17.683 1.00 0.00 H ATOM 1042 HE21 GLN A 842 -25.604 22.782 -15.971 1.00 0.00 H ATOM 1043 H GLN A 842 -22.667 18.139 -18.389 1.00 0.00 H ATOM 1044 N SER A 843 -19.694 19.308 -19.647 1.00 32.73 N ATOM 1045 CA SER A 843 -18.273 19.464 -19.966 1.00 32.25 C ATOM 1046 C SER A 843 -17.907 18.922 -21.349 1.00 37.09 C ATOM 1047 O SER A 843 -16.780 19.155 -21.799 1.00 36.11 O ATOM 1048 CB SER A 843 -17.408 18.801 -18.892 1.00 34.53 C ATOM 1049 OG SER A 843 -17.547 17.385 -18.870 1.00 39.57 O ATOM 1050 HG SER A 843 -18.491 17.150 -18.687 1.00 0.00 H ATOM 1051 H SER A 843 -19.960 18.532 -19.008 1.00 0.00 H ATOM 1052 N ALA A 844 -18.859 18.205 -22.019 1.00 34.76 N ATOM 1053 CA ALA A 844 -18.719 17.540 -23.332 1.00 35.33 C ATOM 1054 C ALA A 844 -17.652 16.431 -23.272 1.00 39.70 C ATOM 1055 O ALA A 844 -17.062 16.066 -24.293 1.00 38.87 O ATOM 1056 CB ALA A 844 -18.394 18.556 -24.430 1.00 36.26 C ATOM 1057 H ALA A 844 -19.785 18.118 -21.553 1.00 0.00 H ATOM 1058 N MET A 845 -17.444 15.874 -22.058 1.00 36.79 N ATOM 1059 CA MET A 845 -16.429 14.867 -21.746 1.00 36.39 C ATOM 1060 C MET A 845 -16.982 13.607 -21.082 1.00 37.30 C ATOM 1061 O MET A 845 -16.218 12.912 -20.405 1.00 36.54 O ATOM 1062 CB MET A 845 -15.445 15.486 -20.757 1.00 39.07 C ATOM 1063 CG MET A 845 -14.625 16.610 -21.308 1.00 43.65 C ATOM 1064 SD MET A 845 -13.322 16.917 -20.120 1.00 48.79 S ATOM 1065 CE MET A 845 -12.374 15.385 -20.324 1.00 45.62 C ATOM 1066 H MET A 845 -18.058 16.188 -21.279 1.00 0.00 H ATOM 1067 N TYR A 846 -18.289 13.327 -21.242 1.00 32.96 N ATOM 1068 CA TYR A 846 -19.006 12.219 -20.604 1.00 32.06 C ATOM 1069 C TYR A 846 -18.290 10.857 -20.663 1.00 34.32 C ATOM 1070 O TYR A 846 -18.025 10.291 -19.602 1.00 32.56 O ATOM 1071 CB TYR A 846 -20.443 12.110 -21.146 1.00 33.37 C ATOM 1072 CG TYR A 846 -21.311 11.172 -20.335 1.00 34.17 C ATOM 1073 CD1 TYR A 846 -21.807 11.552 -19.092 1.00 35.55 C ATOM 1074 CD2 TYR A 846 -21.603 9.890 -20.792 1.00 34.36 C ATOM 1075 CE1 TYR A 846 -22.565 10.679 -18.322 1.00 36.30 C ATOM 1076 CE2 TYR A 846 -22.373 9.013 -20.037 1.00 35.61 C ATOM 1077 CZ TYR A 846 -22.862 9.415 -18.805 1.00 43.33 C ATOM 1078 OH TYR A 846 -23.635 8.567 -18.058 1.00 42.66 O ATOM 1079 HH TYR A 846 -23.894 9.016 -17.214 1.00 0.00 H ATOM 1080 H TYR A 846 -18.836 13.949 -21.871 1.00 0.00 H ATOM 1081 N GLU A 847 -17.955 10.355 -21.876 1.00 31.84 N ATOM 1082 CA GLU A 847 -17.280 9.058 -22.058 1.00 31.72 C ATOM 1083 C GLU A 847 -15.921 9.009 -21.364 1.00 33.99 C ATOM 1084 O GLU A 847 -15.621 8.014 -20.715 1.00 33.40 O ATOM 1085 CB GLU A 847 -17.187 8.655 -23.538 1.00 33.39 C ATOM 1086 CG GLU A 847 -18.536 8.292 -24.146 1.00 48.84 C ATOM 1087 CD GLU A 847 -18.754 8.714 -25.590 1.00 81.00 C ATOM 1088 OE1 GLU A 847 -18.573 9.916 -25.901 1.00 84.05 O ATOM 1089 OE2 GLU A 847 -19.168 7.851 -26.399 1.00 75.13 O ATOM 1090 H GLU A 847 -18.186 10.914 -22.722 1.00 0.00 H ATOM 1091 N LEU A 848 -15.149 10.117 -21.427 1.00 30.00 N ATOM 1092 CA LEU A 848 -13.856 10.265 -20.750 1.00 29.77 C ATOM 1093 C LEU A 848 -14.027 10.222 -19.231 1.00 32.38 C ATOM 1094 O LEU A 848 -13.270 9.521 -18.551 1.00 30.54 O ATOM 1095 CB LEU A 848 -13.145 11.562 -21.173 1.00 29.87 C ATOM 1096 CG LEU A 848 -12.642 11.612 -22.615 1.00 35.39 C ATOM 1097 CD1 LEU A 848 -12.351 13.028 -23.033 1.00 36.10 C ATOM 1098 CD2 LEU A 848 -11.404 10.748 -22.811 1.00 36.39 C ATOM 1099 H LEU A 848 -15.495 10.918 -21.993 1.00 0.00 H ATOM 1100 N CYS A 849 -15.040 10.950 -18.715 1.00 29.99 N ATOM 1101 CA CYS A 849 -15.399 11.003 -17.292 1.00 30.52 C ATOM 1102 C CYS A 849 -15.807 9.625 -16.766 1.00 34.40 C ATOM 1103 O CYS A 849 -15.396 9.235 -15.672 1.00 33.22 O ATOM 1104 CB CYS A 849 -16.488 12.042 -17.052 1.00 30.57 C ATOM 1105 SG CYS A 849 -15.902 13.752 -17.099 1.00 34.49 S ATOM 1106 H CYS A 849 -15.610 11.516 -19.376 1.00 0.00 H ATOM 1107 N GLN A 850 -16.567 8.866 -17.575 1.00 32.68 N ATOM 1108 CA GLN A 850 -16.982 7.498 -17.240 1.00 32.71 C ATOM 1109 C GLN A 850 -15.779 6.552 -17.180 1.00 35.04 C ATOM 1110 O GLN A 850 -15.753 5.665 -16.319 1.00 34.94 O ATOM 1111 CB GLN A 850 -18.056 6.976 -18.215 1.00 34.53 C ATOM 1112 CG GLN A 850 -19.456 7.565 -17.991 1.00 50.88 C ATOM 1113 CD GLN A 850 -20.181 7.085 -16.741 1.00 77.30 C ATOM 1114 OE1 GLN A 850 -19.847 6.062 -16.118 1.00 74.04 O ATOM 1115 NE2 GLN A 850 -21.233 7.801 -16.371 1.00 70.34 N ATOM 1116 HE22 GLN A 850 -21.496 8.654 -16.906 1.00 0.00 H ATOM 1117 HE21 GLN A 850 -21.796 7.510 -15.546 1.00 0.00 H ATOM 1118 H GLN A 850 -16.876 9.268 -18.483 1.00 0.00 H ATOM 1119 N GLY A 851 -14.798 6.766 -18.074 1.00 30.10 N ATOM 1120 CA GLY A 851 -13.557 5.993 -18.127 1.00 29.55 C ATOM 1121 C GLY A 851 -12.714 6.172 -16.877 1.00 34.85 C ATOM 1122 O GLY A 851 -12.121 5.212 -16.369 1.00 32.63 O ATOM 1123 H GLY A 851 -14.929 7.527 -18.770 1.00 0.00 H ATOM 1124 N MET A 852 -12.687 7.417 -16.351 1.00 34.04 N ATOM 1125 CA MET A 852 -11.982 7.783 -15.132 1.00 35.59 C ATOM 1126 C MET A 852 -12.692 7.202 -13.909 1.00 38.80 C ATOM 1127 O MET A 852 -12.034 6.771 -12.956 1.00 37.37 O ATOM 1128 CB MET A 852 -11.902 9.304 -15.002 1.00 39.04 C ATOM 1129 CG MET A 852 -11.259 9.742 -13.727 1.00 44.84 C ATOM 1130 SD MET A 852 -9.501 10.035 -13.928 1.00 51.24 S ATOM 1131 CE MET A 852 -8.825 8.364 -13.897 1.00 48.02 C ATOM 1132 H MET A 852 -13.206 8.165 -16.853 1.00 0.00 H ATOM 1133 N HIS A 853 -14.036 7.259 -13.925 1.00 35.56 N ATOM 1134 CA HIS A 853 -14.911 6.739 -12.887 1.00 35.58 C ATOM 1135 C HIS A 853 -14.667 5.245 -12.702 1.00 36.53 C ATOM 1136 O HIS A 853 -14.652 4.783 -11.569 1.00 35.67 O ATOM 1137 CB HIS A 853 -16.376 7.012 -13.258 1.00 37.32 C ATOM 1138 CG HIS A 853 -17.365 6.572 -12.227 1.00 41.30 C ATOM 1139 ND1 HIS A 853 -18.332 5.630 -12.513 1.00 43.54 N ATOM 1140 CD2 HIS A 853 -17.504 6.964 -10.940 1.00 43.16 C ATOM 1141 CE1 HIS A 853 -19.031 5.486 -11.400 1.00 42.85 C ATOM 1142 NE2 HIS A 853 -18.560 6.259 -10.423 1.00 43.06 N ATOM 1143 H HIS A 853 -14.485 7.712 -14.746 1.00 0.00 H ATOM 1144 N GLN A 854 -14.437 4.507 -13.807 1.00 32.35 N ATOM 1145 CA GLN A 854 -14.138 3.071 -13.797 1.00 32.21 C ATOM 1146 C GLN A 854 -12.841 2.765 -13.038 1.00 36.08 C ATOM 1147 O GLN A 854 -12.814 1.804 -12.266 1.00 36.15 O ATOM 1148 CB GLN A 854 -14.105 2.491 -15.223 1.00 33.38 C ATOM 1149 CG GLN A 854 -15.494 2.268 -15.825 1.00 45.57 C ATOM 1150 CD GLN A 854 -16.400 1.427 -14.946 1.00 57.07 C ATOM 1151 OE1 GLN A 854 -16.025 0.341 -14.478 1.00 54.24 O ATOM 1152 NE2 GLN A 854 -17.611 1.924 -14.692 1.00 36.67 N ATOM 1153 HE22 GLN A 854 -17.894 2.838 -15.100 1.00 0.00 H ATOM 1154 HE21 GLN A 854 -18.272 1.398 -14.086 1.00 0.00 H ATOM 1155 H GLN A 854 -14.474 4.988 -14.728 1.00 0.00 H ATOM 1156 N ILE A 855 -11.788 3.618 -13.226 1.00 30.96 N ATOM 1157 CA ILE A 855 -10.496 3.542 -12.540 1.00 29.95 C ATOM 1158 C ILE A 855 -10.736 3.742 -11.029 1.00 32.83 C ATOM 1159 O ILE A 855 -10.220 2.960 -10.225 1.00 32.28 O ATOM 1160 CB ILE A 855 -9.466 4.577 -13.129 1.00 32.95 C ATOM 1161 CG1 ILE A 855 -9.071 4.254 -14.615 1.00 33.15 C ATOM 1162 CG2 ILE A 855 -8.223 4.760 -12.225 1.00 32.04 C ATOM 1163 CD1 ILE A 855 -8.134 2.989 -14.892 1.00 38.04 C ATOM 1164 H ILE A 855 -11.916 4.386 -13.915 1.00 0.00 H ATOM 1165 N SER A 856 -11.529 4.776 -10.646 1.00 27.67 N ATOM 1166 CA SER A 856 -11.832 5.010 -9.236 1.00 28.05 C ATOM 1167 C SER A 856 -12.656 3.851 -8.613 1.00 30.66 C ATOM 1168 O SER A 856 -12.429 3.500 -7.457 1.00 29.36 O ATOM 1169 CB SER A 856 -12.471 6.377 -9.017 1.00 31.43 C ATOM 1170 OG SER A 856 -13.733 6.480 -9.647 1.00 43.62 O ATOM 1171 HG SER A 856 -14.111 7.380 -9.480 1.00 0.00 H ATOM 1172 H SER A 856 -11.927 5.411 -11.367 1.00 0.00 H ATOM 1173 N LEU A 857 -13.523 3.196 -9.412 1.00 26.80 N ATOM 1174 CA LEU A 857 -14.295 2.040 -8.954 1.00 26.81 C ATOM 1175 C LEU A 857 -13.360 0.845 -8.671 1.00 30.64 C ATOM 1176 O LEU A 857 -13.633 0.047 -7.767 1.00 30.51 O ATOM 1177 CB LEU A 857 -15.407 1.685 -9.952 1.00 27.26 C ATOM 1178 CG LEU A 857 -16.579 2.684 -10.012 1.00 31.70 C ATOM 1179 CD1 LEU A 857 -17.575 2.292 -11.099 1.00 31.92 C ATOM 1180 CD2 LEU A 857 -17.264 2.847 -8.637 1.00 31.54 C ATOM 1181 H LEU A 857 -13.648 3.525 -10.391 1.00 0.00 H ATOM 1182 N GLN A 858 -12.218 0.790 -9.390 1.00 25.77 N ATOM 1183 CA GLN A 858 -11.163 -0.200 -9.179 1.00 25.24 C ATOM 1184 C GLN A 858 -10.464 0.062 -7.836 1.00 28.17 C ATOM 1185 O GLN A 858 -10.121 -0.887 -7.134 1.00 26.03 O ATOM 1186 CB GLN A 858 -10.167 -0.217 -10.349 1.00 26.08 C ATOM 1187 CG GLN A 858 -10.689 -0.945 -11.589 1.00 42.53 C ATOM 1188 CD GLN A 858 -11.060 -2.387 -11.299 1.00 64.83 C ATOM 1189 OE1 GLN A 858 -10.281 -3.159 -10.714 1.00 63.39 O ATOM 1190 NE2 GLN A 858 -12.277 -2.767 -11.671 1.00 54.18 N ATOM 1191 HE22 GLN A 858 -12.905 -2.097 -12.159 1.00 0.00 H ATOM 1192 HE21 GLN A 858 -12.602 -3.735 -11.474 1.00 0.00 H ATOM 1193 H GLN A 858 -12.080 1.496 -10.141 1.00 0.00 H ATOM 1194 N PHE A 859 -10.327 1.351 -7.441 1.00 23.97 N ATOM 1195 CA PHE A 859 -9.752 1.704 -6.133 1.00 23.96 C ATOM 1196 C PHE A 859 -10.620 1.135 -4.990 1.00 28.47 C ATOM 1197 O PHE A 859 -10.072 0.655 -3.995 1.00 28.62 O ATOM 1198 CB PHE A 859 -9.585 3.227 -5.978 1.00 25.23 C ATOM 1199 CG PHE A 859 -8.448 3.887 -6.730 1.00 25.87 C ATOM 1200 CD1 PHE A 859 -7.916 3.307 -7.882 1.00 27.60 C ATOM 1201 CD2 PHE A 859 -7.947 5.115 -6.322 1.00 27.00 C ATOM 1202 CE1 PHE A 859 -6.883 3.927 -8.580 1.00 27.78 C ATOM 1203 CE2 PHE A 859 -6.911 5.733 -7.022 1.00 29.80 C ATOM 1204 CZ PHE A 859 -6.391 5.139 -8.147 1.00 27.54 C ATOM 1205 H PHE A 859 -10.637 2.111 -8.079 1.00 0.00 H ATOM 1206 N VAL A 860 -11.960 1.182 -5.152 1.00 26.70 N ATOM 1207 CA VAL A 860 -12.952 0.654 -4.198 1.00 27.61 C ATOM 1208 C VAL A 860 -12.844 -0.882 -4.150 1.00 32.47 C ATOM 1209 O VAL A 860 -12.779 -1.448 -3.054 1.00 33.51 O ATOM 1210 CB VAL A 860 -14.422 1.124 -4.483 1.00 31.45 C ATOM 1211 CG1 VAL A 860 -15.431 0.423 -3.561 1.00 30.91 C ATOM 1212 CG2 VAL A 860 -14.563 2.630 -4.350 1.00 31.02 C ATOM 1213 H VAL A 860 -12.321 1.627 -6.020 1.00 0.00 H ATOM 1214 N ARG A 861 -12.812 -1.538 -5.335 1.00 28.67 N ATOM 1215 CA ARG A 861 -12.713 -2.997 -5.490 1.00 28.49 C ATOM 1216 C ARG A 861 -11.459 -3.528 -4.803 1.00 32.94 C ATOM 1217 O ARG A 861 -11.535 -4.486 -4.037 1.00 31.97 O ATOM 1218 CB ARG A 861 -12.711 -3.379 -6.981 1.00 27.98 C ATOM 1219 CG ARG A 861 -12.833 -4.866 -7.252 1.00 46.34 C ATOM 1220 CD ARG A 861 -12.955 -5.171 -8.735 1.00 62.46 C ATOM 1221 NE ARG A 861 -11.652 -5.234 -9.405 1.00 77.89 N ATOM 1222 CZ ARG A 861 -10.908 -6.333 -9.512 1.00 91.96 C ATOM 1223 NH1 ARG A 861 -9.746 -6.294 -10.150 1.00 79.09 N ATOM 1224 NH2 ARG A 861 -11.319 -7.477 -8.978 1.00 77.73 N ATOM 1225 HE ARG A 861 -11.283 -4.358 -9.827 1.00 0.00 H ATOM 1226 HH12 ARG A 861 -9.168 -7.155 -10.231 1.00 0.00 H ATOM 1227 HH11 ARG A 861 -9.413 -5.403 -10.569 1.00 0.00 H ATOM 1228 HH22 ARG A 861 -10.733 -8.332 -9.065 1.00 0.00 H ATOM 1229 HH21 ARG A 861 -12.227 -7.518 -8.472 1.00 0.00 H ATOM 1230 H ARG A 861 -12.861 -0.966 -6.202 1.00 0.00 H ATOM 1231 N LEU A 862 -10.316 -2.866 -5.041 1.00 29.76 N ATOM 1232 CA LEU A 862 -9.035 -3.260 -4.481 1.00 29.66 C ATOM 1233 C LEU A 862 -8.809 -2.811 -3.056 1.00 31.05 C ATOM 1234 O LEU A 862 -7.976 -3.395 -2.366 1.00 30.74 O ATOM 1235 CB LEU A 862 -7.882 -2.785 -5.391 1.00 30.65 C ATOM 1236 CG LEU A 862 -7.853 -3.387 -6.807 1.00 36.60 C ATOM 1237 CD1 LEU A 862 -6.894 -2.633 -7.701 1.00 36.98 C ATOM 1238 CD2 LEU A 862 -7.533 -4.879 -6.777 1.00 39.06 C ATOM 1239 H LEU A 862 -10.349 -2.029 -5.657 1.00 0.00 H ATOM 1240 N GLN A 863 -9.543 -1.792 -2.595 1.00 27.52 N ATOM 1241 CA GLN A 863 -9.339 -1.191 -1.272 1.00 27.16 C ATOM 1242 C GLN A 863 -7.904 -0.631 -1.213 1.00 29.36 C ATOM 1243 O GLN A 863 -7.153 -0.874 -0.268 1.00 29.76 O ATOM 1244 CB GLN A 863 -9.699 -2.153 -0.108 1.00 28.67 C ATOM 1245 CG GLN A 863 -11.193 -2.314 0.142 1.00 37.98 C ATOM 1246 CD GLN A 863 -11.883 -1.011 0.505 1.00 59.31 C ATOM 1247 OE1 GLN A 863 -11.777 -0.503 1.633 1.00 56.40 O ATOM 1248 NE2 GLN A 863 -12.611 -0.444 -0.450 1.00 45.77 N ATOM 1249 HE22 GLN A 863 -12.682 -0.893 -1.386 1.00 0.00 H ATOM 1250 HE21 GLN A 863 -13.111 0.449 -0.262 1.00 0.00 H ATOM 1251 H GLN A 863 -10.294 -1.408 -3.203 1.00 0.00 H ATOM 1252 N LEU A 864 -7.514 0.057 -2.306 1.00 25.81 N ATOM 1253 CA LEU A 864 -6.220 0.714 -2.498 1.00 24.62 C ATOM 1254 C LEU A 864 -5.842 1.534 -1.277 1.00 27.80 C ATOM 1255 O LEU A 864 -6.631 2.350 -0.806 1.00 28.11 O ATOM 1256 CB LEU A 864 -6.236 1.633 -3.747 1.00 23.55 C ATOM 1257 CG LEU A 864 -4.841 2.091 -4.258 1.00 25.71 C ATOM 1258 CD1 LEU A 864 -4.047 0.935 -4.843 1.00 23.81 C ATOM 1259 CD2 LEU A 864 -4.961 3.214 -5.253 1.00 23.75 C ATOM 1260 H LEU A 864 -8.198 0.127 -3.086 1.00 0.00 H ATOM 1261 N THR A 865 -4.646 1.297 -0.757 1.00 25.18 N ATOM 1262 CA THR A 865 -4.167 2.057 0.397 1.00 24.42 C ATOM 1263 C THR A 865 -3.408 3.290 -0.095 1.00 26.23 C ATOM 1264 O THR A 865 -3.020 3.358 -1.269 1.00 25.46 O ATOM 1265 CB THR A 865 -3.316 1.190 1.338 1.00 24.82 C ATOM 1266 OG1 THR A 865 -2.053 0.930 0.728 1.00 24.63 O ATOM 1267 CG2 THR A 865 -4.019 -0.104 1.759 1.00 21.03 C ATOM 1268 HG1 THR A 865 -1.504 0.371 1.334 1.00 0.00 H ATOM 1269 H THR A 865 -4.041 0.562 -1.175 1.00 0.00 H ATOM 1270 N PHE A 866 -3.195 4.252 0.812 1.00 22.27 N ATOM 1271 CA PHE A 866 -2.471 5.487 0.545 1.00 21.04 C ATOM 1272 C PHE A 866 -1.012 5.191 0.246 1.00 24.87 C ATOM 1273 O PHE A 866 -0.429 5.806 -0.652 1.00 23.69 O ATOM 1274 CB PHE A 866 -2.663 6.492 1.698 1.00 22.00 C ATOM 1275 CG PHE A 866 -2.067 7.867 1.465 1.00 21.63 C ATOM 1276 CD1 PHE A 866 -2.502 8.664 0.410 1.00 23.48 C ATOM 1277 CD2 PHE A 866 -1.090 8.371 2.314 1.00 23.02 C ATOM 1278 CE1 PHE A 866 -1.971 9.951 0.210 1.00 24.07 C ATOM 1279 CE2 PHE A 866 -0.545 9.649 2.109 1.00 25.18 C ATOM 1280 CZ PHE A 866 -0.984 10.429 1.058 1.00 23.24 C ATOM 1281 H PHE A 866 -3.572 4.108 1.771 1.00 0.00 H ATOM 1282 N GLU A 867 -0.447 4.188 0.939 1.00 23.44 N ATOM 1283 CA GLU A 867 0.926 3.726 0.740 1.00 22.92 C ATOM 1284 C GLU A 867 1.117 3.251 -0.710 1.00 24.80 C ATOM 1285 O GLU A 867 2.048 3.682 -1.384 1.00 22.62 O ATOM 1286 CB GLU A 867 1.289 2.600 1.743 1.00 24.58 C ATOM 1287 CG GLU A 867 1.304 3.017 3.204 1.00 36.42 C ATOM 1288 CD GLU A 867 0.014 2.819 3.988 1.00 65.89 C ATOM 1289 OE1 GLU A 867 -1.070 3.235 3.511 1.00 47.10 O ATOM 1290 OE2 GLU A 867 0.102 2.280 5.115 1.00 66.89 O ATOM 1291 H GLU A 867 -1.022 3.710 1.662 1.00 0.00 H ATOM 1292 N GLU A 868 0.197 2.406 -1.192 1.00 22.70 N ATOM 1293 CA GLU A 868 0.201 1.860 -2.551 1.00 21.67 C ATOM 1294 C GLU A 868 0.037 2.977 -3.575 1.00 23.55 C ATOM 1295 O GLU A 868 0.817 3.077 -4.516 1.00 23.19 O ATOM 1296 CB GLU A 868 -0.916 0.823 -2.699 1.00 22.29 C ATOM 1297 CG GLU A 868 -0.583 -0.490 -2.011 1.00 29.91 C ATOM 1298 CD GLU A 868 -1.736 -1.450 -1.762 1.00 40.54 C ATOM 1299 OE1 GLU A 868 -1.449 -2.649 -1.541 1.00 23.84 O ATOM 1300 OE2 GLU A 868 -2.912 -1.013 -1.752 1.00 26.47 O ATOM 1301 H GLU A 868 -0.574 2.117 -0.557 1.00 0.00 H ATOM 1302 N TYR A 869 -0.969 3.820 -3.364 1.00 20.44 N ATOM 1303 CA TYR A 869 -1.286 4.976 -4.196 1.00 19.12 C ATOM 1304 C TYR A 869 -0.056 5.871 -4.413 1.00 20.37 C ATOM 1305 O TYR A 869 0.267 6.164 -5.562 1.00 19.67 O ATOM 1306 CB TYR A 869 -2.478 5.757 -3.587 1.00 18.86 C ATOM 1307 CG TYR A 869 -2.636 7.149 -4.152 1.00 18.21 C ATOM 1308 CD1 TYR A 869 -3.093 7.348 -5.454 1.00 18.73 C ATOM 1309 CD2 TYR A 869 -2.268 8.266 -3.411 1.00 18.15 C ATOM 1310 CE1 TYR A 869 -3.106 8.615 -6.025 1.00 18.06 C ATOM 1311 CE2 TYR A 869 -2.358 9.546 -3.943 1.00 18.97 C ATOM 1312 CZ TYR A 869 -2.781 9.717 -5.250 1.00 23.83 C ATOM 1313 OH TYR A 869 -2.881 10.986 -5.748 1.00 23.28 O ATOM 1314 HH TYR A 869 -3.193 10.947 -6.687 1.00 0.00 H ATOM 1315 H TYR A 869 -1.579 3.641 -2.540 1.00 0.00 H ATOM 1316 N THR A 870 0.656 6.254 -3.323 1.00 18.35 N ATOM 1317 CA THR A 870 1.838 7.133 -3.413 1.00 18.25 C ATOM 1318 C THR A 870 2.965 6.483 -4.215 1.00 21.86 C ATOM 1319 O THR A 870 3.593 7.180 -5.004 1.00 19.96 O ATOM 1320 CB THR A 870 2.331 7.687 -2.054 1.00 20.79 C ATOM 1321 OG1 THR A 870 2.825 6.631 -1.220 1.00 20.02 O ATOM 1322 CG2 THR A 870 1.269 8.546 -1.332 1.00 23.51 C ATOM 1323 HG1 THR A 870 2.101 5.977 -1.054 1.00 0.00 H ATOM 1324 H THR A 870 0.357 5.914 -2.387 1.00 0.00 H ATOM 1325 N ILE A 871 3.182 5.157 -4.061 1.00 18.69 N ATOM 1326 CA ILE A 871 4.220 4.470 -4.849 1.00 19.08 C ATOM 1327 C ILE A 871 3.827 4.436 -6.328 1.00 22.56 C ATOM 1328 O ILE A 871 4.645 4.754 -7.196 1.00 22.04 O ATOM 1329 CB ILE A 871 4.593 3.064 -4.297 1.00 21.74 C ATOM 1330 CG1 ILE A 871 5.065 3.160 -2.834 1.00 22.56 C ATOM 1331 CG2 ILE A 871 5.689 2.397 -5.186 1.00 22.14 C ATOM 1332 CD1 ILE A 871 5.108 1.807 -2.114 1.00 32.33 C ATOM 1333 H ILE A 871 2.611 4.617 -3.380 1.00 0.00 H ATOM 1334 N MET A 872 2.571 4.066 -6.600 1.00 20.68 N ATOM 1335 CA MET A 872 2.014 3.985 -7.959 1.00 19.61 C ATOM 1336 C MET A 872 2.103 5.324 -8.720 1.00 22.52 C ATOM 1337 O MET A 872 2.405 5.318 -9.913 1.00 20.85 O ATOM 1338 CB MET A 872 0.575 3.470 -7.925 1.00 21.23 C ATOM 1339 CG MET A 872 0.480 1.984 -7.627 1.00 23.85 C ATOM 1340 SD MET A 872 -1.168 1.506 -7.110 1.00 25.96 S ATOM 1341 CE MET A 872 -1.892 1.082 -8.708 1.00 22.88 C ATOM 1342 H MET A 872 1.950 3.821 -5.802 1.00 0.00 H ATOM 1343 N LYS A 873 1.861 6.457 -8.030 1.00 21.52 N ATOM 1344 CA LYS A 873 1.943 7.783 -8.640 1.00 21.38 C ATOM 1345 C LYS A 873 3.372 8.095 -9.094 1.00 24.58 C ATOM 1346 O LYS A 873 3.542 8.585 -10.208 1.00 23.60 O ATOM 1347 CB LYS A 873 1.339 8.852 -7.728 1.00 23.68 C ATOM 1348 CG LYS A 873 1.083 10.191 -8.416 1.00 30.86 C ATOM 1349 CD LYS A 873 0.072 11.093 -7.666 1.00 32.60 C ATOM 1350 CE LYS A 873 0.368 11.262 -6.184 1.00 28.53 C ATOM 1351 NZ LYS A 873 1.667 11.929 -5.918 1.00 30.41 N ATOM 1352 HZ1 LYS A 873 2.437 11.363 -6.330 1.00 0.00 H ATOM 1353 HZ2 LYS A 873 1.663 12.876 -6.348 1.00 0.00 H ATOM 1354 HZ3 LYS A 873 1.808 12.013 -4.891 1.00 0.00 H ATOM 1355 H LYS A 873 1.606 6.385 -7.024 1.00 0.00 H ATOM 1356 N VAL A 874 4.395 7.686 -8.296 1.00 20.95 N ATOM 1357 CA VAL A 874 5.813 7.807 -8.650 1.00 20.55 C ATOM 1358 C VAL A 874 6.083 6.931 -9.896 1.00 23.50 C ATOM 1359 O VAL A 874 6.782 7.350 -10.808 1.00 21.94 O ATOM 1360 CB VAL A 874 6.780 7.439 -7.467 1.00 23.59 C ATOM 1361 CG1 VAL A 874 8.245 7.473 -7.923 1.00 22.82 C ATOM 1362 CG2 VAL A 874 6.574 8.362 -6.272 1.00 22.77 C ATOM 1363 H VAL A 874 4.157 7.261 -7.377 1.00 0.00 H ATOM 1364 N LEU A 875 5.528 5.720 -9.925 1.00 21.11 N ATOM 1365 CA LEU A 875 5.668 4.847 -11.082 1.00 20.95 C ATOM 1366 C LEU A 875 5.042 5.479 -12.341 1.00 21.53 C ATOM 1367 O LEU A 875 5.581 5.304 -13.423 1.00 20.66 O ATOM 1368 CB LEU A 875 5.126 3.416 -10.798 1.00 20.39 C ATOM 1369 CG LEU A 875 5.960 2.580 -9.807 1.00 25.27 C ATOM 1370 CD1 LEU A 875 5.229 1.275 -9.402 1.00 24.77 C ATOM 1371 CD2 LEU A 875 7.358 2.291 -10.350 1.00 28.48 C ATOM 1372 H LEU A 875 4.983 5.391 -9.103 1.00 0.00 H ATOM 1373 N LEU A 876 3.963 6.262 -12.192 1.00 19.04 N ATOM 1374 CA LEU A 876 3.349 6.949 -13.329 1.00 18.44 C ATOM 1375 C LEU A 876 4.210 8.087 -13.836 1.00 21.37 C ATOM 1376 O LEU A 876 4.254 8.309 -15.046 1.00 20.61 O ATOM 1377 CB LEU A 876 1.914 7.395 -13.055 1.00 18.83 C ATOM 1378 CG LEU A 876 0.899 6.261 -12.916 1.00 22.66 C ATOM 1379 CD1 LEU A 876 -0.404 6.790 -12.418 1.00 22.19 C ATOM 1380 CD2 LEU A 876 0.697 5.490 -14.249 1.00 23.05 C ATOM 1381 H LEU A 876 3.552 6.384 -11.244 1.00 0.00 H ATOM 1382 N LEU A 877 4.968 8.753 -12.930 1.00 18.10 N ATOM 1383 CA LEU A 877 5.898 9.821 -13.321 1.00 17.89 C ATOM 1384 C LEU A 877 7.040 9.214 -14.183 1.00 22.12 C ATOM 1385 O LEU A 877 7.597 9.879 -15.065 1.00 19.67 O ATOM 1386 CB LEU A 877 6.466 10.526 -12.071 1.00 17.25 C ATOM 1387 CG LEU A 877 7.655 11.509 -12.287 1.00 20.65 C ATOM 1388 CD1 LEU A 877 7.256 12.735 -13.110 1.00 19.63 C ATOM 1389 CD2 LEU A 877 8.290 11.896 -10.969 1.00 20.65 C ATOM 1390 H LEU A 877 4.888 8.499 -11.925 1.00 0.00 H ATOM 1391 N LEU A 878 7.331 7.928 -13.929 1.00 20.34 N ATOM 1392 CA LEU A 878 8.378 7.166 -14.591 1.00 21.06 C ATOM 1393 C LEU A 878 7.828 6.105 -15.599 1.00 25.38 C ATOM 1394 O LEU A 878 8.509 5.102 -15.846 1.00 23.84 O ATOM 1395 CB LEU A 878 9.227 6.478 -13.481 1.00 21.06 C ATOM 1396 CG LEU A 878 9.803 7.380 -12.353 1.00 25.04 C ATOM 1397 CD1 LEU A 878 10.419 6.531 -11.230 1.00 25.02 C ATOM 1398 CD2 LEU A 878 10.817 8.400 -12.898 1.00 23.45 C ATOM 1399 H LEU A 878 6.766 7.441 -13.205 1.00 0.00 H ATOM 1400 N SER A 879 6.639 6.335 -16.193 1.00 22.22 N ATOM 1401 CA SER A 879 6.060 5.342 -17.100 1.00 22.75 C ATOM 1402 C SER A 879 6.004 5.758 -18.579 1.00 26.14 C ATOM 1403 O SER A 879 5.456 5.017 -19.384 1.00 24.81 O ATOM 1404 CB SER A 879 4.684 4.897 -16.604 1.00 27.17 C ATOM 1405 OG SER A 879 4.847 3.893 -15.615 1.00 35.02 O ATOM 1406 HG SER A 879 5.371 4.258 -14.859 1.00 0.00 H ATOM 1407 H SER A 879 6.131 7.223 -16.006 1.00 0.00 H ATOM 1408 N THR A 880 6.580 6.915 -18.943 1.00 24.19 N ATOM 1409 CA THR A 880 6.615 7.383 -20.344 1.00 24.90 C ATOM 1410 C THR A 880 7.934 8.086 -20.618 1.00 28.57 C ATOM 1411 O THR A 880 8.238 9.100 -19.991 1.00 27.13 O ATOM 1412 CB THR A 880 5.378 8.251 -20.728 1.00 33.59 C ATOM 1413 OG1 THR A 880 4.173 7.669 -20.227 1.00 31.15 O ATOM 1414 CG2 THR A 880 5.252 8.469 -22.240 1.00 29.32 C ATOM 1415 HG1 THR A 880 4.224 7.605 -19.240 1.00 0.00 H ATOM 1416 H THR A 880 7.020 7.506 -18.209 1.00 0.00 H ATOM 1417 N ILE A 881 8.731 7.530 -21.541 1.00 27.63 N ATOM 1418 CA ILE A 881 10.048 8.091 -21.902 1.00 27.78 C ATOM 1419 C ILE A 881 10.099 8.417 -23.400 1.00 32.47 C ATOM 1420 O ILE A 881 9.243 7.914 -24.125 1.00 31.12 O ATOM 1421 CB ILE A 881 11.210 7.131 -21.488 1.00 30.70 C ATOM 1422 CG1 ILE A 881 11.142 5.768 -22.222 1.00 30.69 C ATOM 1423 CG2 ILE A 881 11.291 6.965 -19.973 1.00 32.17 C ATOM 1424 CD1 ILE A 881 12.476 4.960 -22.197 1.00 33.15 C ATOM 1425 H ILE A 881 8.408 6.667 -22.023 1.00 0.00 H ATOM 1426 N PRO A 882 11.087 9.192 -23.925 1.00 31.89 N ATOM 1427 CA PRO A 882 11.162 9.358 -25.391 1.00 32.44 C ATOM 1428 C PRO A 882 11.568 8.019 -26.026 1.00 36.37 C ATOM 1429 O PRO A 882 12.265 7.222 -25.387 1.00 33.51 O ATOM 1430 CB PRO A 882 12.254 10.425 -25.588 1.00 33.86 C ATOM 1431 CG PRO A 882 12.534 10.986 -24.229 1.00 37.31 C ATOM 1432 CD PRO A 882 12.212 9.885 -23.263 1.00 33.26 C ATOM 1433 N LYS A 883 11.087 7.753 -27.253 1.00 35.52 N ATOM 1434 CA LYS A 883 11.352 6.528 -28.024 1.00 36.65 C ATOM 1435 C LYS A 883 12.873 6.204 -28.079 1.00 42.02 C ATOM 1436 O LYS A 883 13.259 5.049 -27.882 1.00 41.71 O ATOM 1437 CB LYS A 883 10.716 6.659 -29.422 1.00 39.63 C ATOM 1438 CG LYS A 883 10.853 5.442 -30.328 1.00 57.50 C ATOM 1439 CD LYS A 883 10.299 5.703 -31.734 1.00 69.70 C ATOM 1440 CE LYS A 883 11.329 6.224 -32.722 1.00 81.82 C ATOM 1441 NZ LYS A 883 11.603 7.678 -32.549 1.00 88.61 N ATOM 1442 HZ1 LYS A 883 10.723 8.215 -32.691 1.00 0.00 H ATOM 1443 HZ2 LYS A 883 11.965 7.850 -31.589 1.00 0.00 H ATOM 1444 HZ3 LYS A 883 12.312 7.981 -33.247 1.00 0.00 H ATOM 1445 H LYS A 883 10.478 8.472 -27.693 1.00 0.00 H ATOM 1446 N ASP A 884 13.723 7.240 -28.226 1.00 40.01 N ATOM 1447 CA ASP A 884 15.178 7.090 -28.252 1.00 40.76 C ATOM 1448 C ASP A 884 15.842 7.158 -26.857 1.00 44.23 C ATOM 1449 O ASP A 884 17.068 7.243 -26.767 1.00 45.19 O ATOM 1450 CB ASP A 884 15.827 8.084 -29.234 1.00 43.43 C ATOM 1451 CG ASP A 884 15.374 7.897 -30.670 1.00 59.95 C ATOM 1452 OD1 ASP A 884 15.567 6.786 -31.214 1.00 60.71 O ATOM 1453 OD2 ASP A 884 14.821 8.863 -31.249 1.00 70.67 O ATOM 1454 H ASP A 884 13.324 8.195 -28.326 1.00 0.00 H ATOM 1455 N GLY A 885 15.036 7.067 -25.799 1.00 38.57 N ATOM 1456 CA GLY A 885 15.494 7.034 -24.416 1.00 36.66 C ATOM 1457 C GLY A 885 15.846 8.374 -23.812 1.00 36.53 C ATOM 1458 O GLY A 885 15.796 9.409 -24.482 1.00 35.09 O ATOM 1459 H GLY A 885 14.012 7.016 -25.972 1.00 0.00 H ATOM 1460 N LEU A 886 16.204 8.353 -22.522 1.00 31.12 N ATOM 1461 CA LEU A 886 16.588 9.556 -21.769 1.00 29.57 C ATOM 1462 C LEU A 886 18.091 9.873 -21.894 1.00 33.16 C ATOM 1463 O LEU A 886 18.846 9.046 -22.406 1.00 33.26 O ATOM 1464 CB LEU A 886 16.173 9.385 -20.295 1.00 28.57 C ATOM 1465 CG LEU A 886 14.656 9.382 -20.054 1.00 31.53 C ATOM 1466 CD1 LEU A 886 14.332 8.798 -18.740 1.00 30.84 C ATOM 1467 CD2 LEU A 886 14.064 10.782 -20.138 1.00 28.68 C ATOM 1468 H LEU A 886 16.211 7.438 -22.027 1.00 0.00 H ATOM 1469 N LYS A 887 18.530 11.067 -21.439 1.00 29.89 N ATOM 1470 CA LYS A 887 19.966 11.415 -21.450 1.00 29.38 C ATOM 1471 C LYS A 887 20.754 10.451 -20.552 1.00 32.66 C ATOM 1472 O LYS A 887 21.826 9.964 -20.937 1.00 33.09 O ATOM 1473 CB LYS A 887 20.209 12.889 -21.055 1.00 31.73 C ATOM 1474 CG LYS A 887 19.613 13.919 -22.026 1.00 49.29 C ATOM 1475 CD LYS A 887 20.111 13.817 -23.484 1.00 62.60 C ATOM 1476 CE LYS A 887 21.364 14.622 -23.764 1.00 74.09 C ATOM 1477 NZ LYS A 887 21.757 14.554 -25.199 1.00 80.07 N ATOM 1478 HZ1 LYS A 887 21.939 13.564 -25.461 1.00 0.00 H ATOM 1479 HZ2 LYS A 887 20.987 14.933 -25.786 1.00 0.00 H ATOM 1480 HZ3 LYS A 887 22.618 15.118 -25.348 1.00 0.00 H ATOM 1481 H LYS A 887 17.842 11.756 -21.073 1.00 0.00 H ATOM 1482 N SER A 888 20.181 10.138 -19.380 1.00 27.87 N ATOM 1483 CA SER A 888 20.727 9.210 -18.394 1.00 27.63 C ATOM 1484 C SER A 888 19.733 8.058 -18.144 1.00 31.76 C ATOM 1485 O SER A 888 19.067 8.000 -17.100 1.00 30.30 O ATOM 1486 CB SER A 888 21.082 9.939 -17.098 1.00 29.03 C ATOM 1487 OG SER A 888 22.088 10.913 -17.312 1.00 31.01 O ATOM 1488 HG SER A 888 22.295 11.366 -16.456 1.00 0.00 H ATOM 1489 H SER A 888 19.274 10.594 -19.155 1.00 0.00 H ATOM 1490 N GLN A 889 19.644 7.143 -19.133 1.00 30.19 N ATOM 1491 CA GLN A 889 18.782 5.955 -19.131 1.00 29.69 C ATOM 1492 C GLN A 889 19.004 5.038 -17.910 1.00 32.14 C ATOM 1493 O GLN A 889 18.024 4.644 -17.274 1.00 30.69 O ATOM 1494 CB GLN A 889 18.911 5.171 -20.467 1.00 30.79 C ATOM 1495 CG GLN A 889 17.798 4.124 -20.723 1.00 31.74 C ATOM 1496 CD GLN A 889 16.373 4.671 -20.709 1.00 42.91 C ATOM 1497 OE1 GLN A 889 16.099 5.803 -21.127 1.00 31.50 O ATOM 1498 NE2 GLN A 889 15.425 3.861 -20.236 1.00 34.78 N ATOM 1499 HE22 GLN A 889 15.676 2.913 -19.889 1.00 0.00 H ATOM 1500 HE21 GLN A 889 14.434 4.177 -20.214 1.00 0.00 H ATOM 1501 H GLN A 889 20.240 7.294 -19.972 1.00 0.00 H ATOM 1502 N ALA A 890 20.278 4.737 -17.567 1.00 29.99 N ATOM 1503 CA ALA A 890 20.644 3.874 -16.426 1.00 29.48 C ATOM 1504 C ALA A 890 20.183 4.457 -15.079 1.00 29.70 C ATOM 1505 O ALA A 890 19.677 3.708 -14.244 1.00 28.56 O ATOM 1506 CB ALA A 890 22.150 3.613 -16.406 1.00 30.01 C ATOM 1507 H ALA A 890 21.046 5.138 -18.142 1.00 0.00 H ATOM 1508 N ALA A 891 20.356 5.783 -14.878 1.00 25.63 N ATOM 1509 CA ALA A 891 19.918 6.491 -13.667 1.00 25.21 C ATOM 1510 C ALA A 891 18.394 6.395 -13.548 1.00 28.87 C ATOM 1511 O ALA A 891 17.892 6.070 -12.472 1.00 29.33 O ATOM 1512 CB ALA A 891 20.356 7.949 -13.715 1.00 25.69 C ATOM 1513 H ALA A 891 20.827 6.334 -15.624 1.00 0.00 H ATOM 1514 N PHE A 892 17.661 6.599 -14.675 1.00 23.76 N ATOM 1515 CA PHE A 892 16.203 6.467 -14.719 1.00 22.29 C ATOM 1516 C PHE A 892 15.780 5.029 -14.368 1.00 25.33 C ATOM 1517 O PHE A 892 14.920 4.844 -13.508 1.00 22.69 O ATOM 1518 CB PHE A 892 15.638 6.893 -16.098 1.00 23.52 C ATOM 1519 CG PHE A 892 14.223 6.415 -16.355 1.00 23.89 C ATOM 1520 CD1 PHE A 892 13.133 7.102 -15.831 1.00 25.20 C ATOM 1521 CD2 PHE A 892 13.985 5.256 -17.089 1.00 25.02 C ATOM 1522 CE1 PHE A 892 11.838 6.634 -16.026 1.00 25.70 C ATOM 1523 CE2 PHE A 892 12.693 4.778 -17.272 1.00 28.06 C ATOM 1524 CZ PHE A 892 11.626 5.468 -16.739 1.00 26.74 C ATOM 1525 H PHE A 892 18.160 6.862 -15.549 1.00 0.00 H ATOM 1526 N GLU A 893 16.373 4.024 -15.042 1.00 24.72 N ATOM 1527 CA GLU A 893 16.020 2.623 -14.816 1.00 26.24 C ATOM 1528 C GLU A 893 16.227 2.192 -13.376 1.00 29.90 C ATOM 1529 O GLU A 893 15.355 1.514 -12.847 1.00 30.79 O ATOM 1530 CB GLU A 893 16.727 1.679 -15.807 1.00 28.21 C ATOM 1531 CG GLU A 893 15.989 1.594 -17.136 1.00 41.32 C ATOM 1532 CD GLU A 893 16.759 1.037 -18.321 1.00 68.50 C ATOM 1533 OE1 GLU A 893 16.324 1.280 -19.471 1.00 54.83 O ATOM 1534 OE2 GLU A 893 17.794 0.363 -18.109 1.00 68.24 O ATOM 1535 H GLU A 893 17.105 4.252 -15.745 1.00 0.00 H ATOM 1536 N GLU A 894 17.324 2.650 -12.728 1.00 26.79 N ATOM 1537 CA GLU A 894 17.648 2.363 -11.326 1.00 27.38 C ATOM 1538 C GLU A 894 16.563 2.945 -10.392 1.00 29.10 C ATOM 1539 O GLU A 894 16.073 2.244 -9.499 1.00 27.44 O ATOM 1540 CB GLU A 894 19.042 2.902 -10.972 1.00 29.30 C ATOM 1541 CG GLU A 894 19.583 2.375 -9.650 1.00 43.40 C ATOM 1542 CD GLU A 894 20.787 3.106 -9.087 1.00 73.89 C ATOM 1543 OE1 GLU A 894 20.855 4.351 -9.221 1.00 65.53 O ATOM 1544 OE2 GLU A 894 21.644 2.433 -8.469 1.00 75.20 O ATOM 1545 H GLU A 894 17.985 3.249 -13.263 1.00 0.00 H ATOM 1546 N MET A 895 16.161 4.209 -10.637 1.00 24.62 N ATOM 1547 CA MET A 895 15.089 4.837 -9.877 1.00 23.02 C ATOM 1548 C MET A 895 13.759 4.064 -10.049 1.00 26.68 C ATOM 1549 O MET A 895 13.128 3.731 -9.034 1.00 26.31 O ATOM 1550 CB MET A 895 14.922 6.318 -10.249 1.00 24.22 C ATOM 1551 CG MET A 895 13.908 7.015 -9.365 1.00 26.61 C ATOM 1552 SD MET A 895 13.583 8.699 -9.874 1.00 28.85 S ATOM 1553 CE MET A 895 12.402 9.179 -8.653 1.00 25.23 C ATOM 1554 H MET A 895 16.630 4.751 -11.391 1.00 0.00 H ATOM 1555 N ARG A 896 13.339 3.783 -11.310 1.00 23.20 N ATOM 1556 CA ARG A 896 12.099 3.039 -11.594 1.00 22.89 C ATOM 1557 C ARG A 896 12.090 1.637 -10.948 1.00 26.32 C ATOM 1558 O ARG A 896 11.102 1.279 -10.302 1.00 25.10 O ATOM 1559 CB ARG A 896 11.787 2.983 -13.109 1.00 21.00 C ATOM 1560 CG ARG A 896 10.496 2.214 -13.445 1.00 22.96 C ATOM 1561 CD ARG A 896 10.065 2.380 -14.888 1.00 27.66 C ATOM 1562 NE ARG A 896 9.055 1.396 -15.289 1.00 35.47 N ATOM 1563 CZ ARG A 896 7.739 1.546 -15.147 1.00 46.51 C ATOM 1564 NH1 ARG A 896 7.243 2.645 -14.588 1.00 29.16 N ATOM 1565 NH2 ARG A 896 6.911 0.596 -15.555 1.00 41.35 N ATOM 1566 HE ARG A 896 9.393 0.511 -15.718 1.00 0.00 H ATOM 1567 HH12 ARG A 896 6.214 2.755 -14.481 1.00 0.00 H ATOM 1568 HH11 ARG A 896 7.883 3.395 -14.258 1.00 0.00 H ATOM 1569 HH22 ARG A 896 5.884 0.717 -15.442 1.00 0.00 H ATOM 1570 HH21 ARG A 896 7.288 -0.271 -15.988 1.00 0.00 H ATOM 1571 H ARG A 896 13.918 4.107 -12.111 1.00 0.00 H ATOM 1572 N THR A 897 13.191 0.873 -11.089 1.00 23.86 N ATOM 1573 CA THR A 897 13.342 -0.491 -10.497 1.00 24.00 C ATOM 1574 C THR A 897 13.163 -0.476 -8.976 1.00 26.64 C ATOM 1575 O THR A 897 12.448 -1.316 -8.423 1.00 27.39 O ATOM 1576 CB THR A 897 14.709 -1.106 -10.901 1.00 33.39 C ATOM 1577 OG1 THR A 897 14.730 -1.280 -12.313 1.00 32.81 O ATOM 1578 CG2 THR A 897 14.997 -2.448 -10.224 1.00 33.80 C ATOM 1579 HG1 THR A 897 14.612 -0.402 -12.754 1.00 0.00 H ATOM 1580 H THR A 897 13.984 1.256 -11.643 1.00 0.00 H ATOM 1581 N ASN A 898 13.764 0.513 -8.321 1.00 23.87 N ATOM 1582 CA ASN A 898 13.691 0.672 -6.879 1.00 24.90 C ATOM 1583 C ASN A 898 12.281 0.989 -6.390 1.00 27.18 C ATOM 1584 O ASN A 898 11.863 0.442 -5.364 1.00 26.31 O ATOM 1585 CB ASN A 898 14.732 1.682 -6.391 1.00 27.13 C ATOM 1586 CG ASN A 898 16.069 1.003 -6.203 1.00 43.90 C ATOM 1587 OD1 ASN A 898 16.278 0.267 -5.239 1.00 46.30 O ATOM 1588 ND2 ASN A 898 16.963 1.129 -7.167 1.00 36.60 N ATOM 1589 HD22 ASN A 898 16.772 1.755 -7.975 1.00 0.00 H ATOM 1590 HD21 ASN A 898 17.858 0.602 -7.118 1.00 0.00 H ATOM 1591 H ASN A 898 14.313 1.207 -8.868 1.00 0.00 H ATOM 1592 N TYR A 899 11.530 1.828 -7.137 1.00 23.89 N ATOM 1593 CA TYR A 899 10.137 2.112 -6.787 1.00 22.88 C ATOM 1594 C TYR A 899 9.236 0.890 -7.092 1.00 26.56 C ATOM 1595 O TYR A 899 8.257 0.676 -6.370 1.00 25.88 O ATOM 1596 CB TYR A 899 9.637 3.427 -7.405 1.00 23.87 C ATOM 1597 CG TYR A 899 10.065 4.642 -6.618 1.00 24.91 C ATOM 1598 CD1 TYR A 899 9.379 5.030 -5.467 1.00 27.15 C ATOM 1599 CD2 TYR A 899 11.159 5.405 -7.014 1.00 24.83 C ATOM 1600 CE1 TYR A 899 9.773 6.147 -4.731 1.00 26.87 C ATOM 1601 CE2 TYR A 899 11.557 6.529 -6.292 1.00 25.96 C ATOM 1602 CZ TYR A 899 10.857 6.898 -5.152 1.00 33.02 C ATOM 1603 OH TYR A 899 11.246 7.992 -4.423 1.00 32.44 O ATOM 1604 HH TYR A 899 12.172 7.859 -4.099 1.00 0.00 H ATOM 1605 H TYR A 899 11.949 2.280 -7.975 1.00 0.00 H ATOM 1606 N ILE A 900 9.623 0.022 -8.080 1.00 24.51 N ATOM 1607 CA ILE A 900 8.887 -1.237 -8.333 1.00 24.79 C ATOM 1608 C ILE A 900 9.103 -2.173 -7.100 1.00 28.57 C ATOM 1609 O ILE A 900 8.145 -2.787 -6.598 1.00 26.32 O ATOM 1610 CB ILE A 900 9.235 -1.912 -9.706 1.00 27.87 C ATOM 1611 CG1 ILE A 900 8.808 -1.009 -10.896 1.00 28.63 C ATOM 1612 CG2 ILE A 900 8.564 -3.304 -9.845 1.00 25.95 C ATOM 1613 CD1 ILE A 900 9.540 -1.276 -12.288 1.00 28.59 C ATOM 1614 H ILE A 900 10.452 0.253 -8.664 1.00 0.00 H ATOM 1615 N LYS A 901 10.349 -2.185 -6.561 1.00 28.04 N ATOM 1616 CA LYS A 901 10.710 -2.972 -5.371 1.00 28.29 C ATOM 1617 C LYS A 901 9.907 -2.489 -4.159 1.00 31.72 C ATOM 1618 O LYS A 901 9.432 -3.311 -3.369 1.00 30.87 O ATOM 1619 CB LYS A 901 12.226 -2.927 -5.089 1.00 30.11 C ATOM 1620 CG LYS A 901 13.053 -3.771 -6.055 1.00 45.12 C ATOM 1621 CD LYS A 901 14.548 -3.702 -5.760 1.00 55.82 C ATOM 1622 CE LYS A 901 15.377 -4.394 -6.823 1.00 58.08 C ATOM 1623 NZ LYS A 901 16.834 -4.300 -6.530 1.00 64.21 N ATOM 1624 HZ1 LYS A 901 17.115 -3.299 -6.494 1.00 0.00 H ATOM 1625 HZ2 LYS A 901 17.032 -4.751 -5.614 1.00 0.00 H ATOM 1626 HZ3 LYS A 901 17.369 -4.785 -7.279 1.00 0.00 H ATOM 1627 H LYS A 901 11.087 -1.608 -7.013 1.00 0.00 H ATOM 1628 N GLU A 902 9.713 -1.156 -4.053 1.00 27.35 N ATOM 1629 CA GLU A 902 8.931 -0.549 -2.979 1.00 26.47 C ATOM 1630 C GLU A 902 7.476 -0.984 -3.031 1.00 28.76 C ATOM 1631 O GLU A 902 6.943 -1.415 -2.004 1.00 28.51 O ATOM 1632 CB GLU A 902 9.075 0.982 -2.948 1.00 27.47 C ATOM 1633 CG GLU A 902 10.427 1.478 -2.451 1.00 40.33 C ATOM 1634 CD GLU A 902 10.971 0.922 -1.143 1.00 60.29 C ATOM 1635 OE1 GLU A 902 12.190 0.640 -1.088 1.00 42.10 O ATOM 1636 OE2 GLU A 902 10.189 0.769 -0.175 1.00 59.89 O ATOM 1637 H GLU A 902 10.140 -0.534 -4.769 1.00 0.00 H ATOM 1638 N LEU A 903 6.858 -0.946 -4.234 1.00 24.80 N ATOM 1639 CA LEU A 903 5.482 -1.387 -4.429 1.00 25.19 C ATOM 1640 C LEU A 903 5.307 -2.862 -4.024 1.00 30.45 C ATOM 1641 O LEU A 903 4.309 -3.184 -3.376 1.00 29.89 O ATOM 1642 CB LEU A 903 4.997 -1.154 -5.887 1.00 25.22 C ATOM 1643 CG LEU A 903 3.511 -1.452 -6.168 1.00 29.22 C ATOM 1644 CD1 LEU A 903 2.586 -0.430 -5.493 1.00 29.60 C ATOM 1645 CD2 LEU A 903 3.238 -1.514 -7.639 1.00 31.42 C ATOM 1646 H LEU A 903 7.387 -0.587 -5.054 1.00 0.00 H ATOM 1647 N ARG A 904 6.272 -3.735 -4.402 1.00 29.13 N ATOM 1648 CA ARG A 904 6.251 -5.167 -4.082 1.00 30.57 C ATOM 1649 C ARG A 904 6.305 -5.443 -2.566 1.00 34.73 C ATOM 1650 O ARG A 904 5.585 -6.315 -2.087 1.00 33.21 O ATOM 1651 CB ARG A 904 7.346 -5.941 -4.850 1.00 30.86 C ATOM 1652 CG ARG A 904 7.229 -7.475 -4.779 1.00 37.92 C ATOM 1653 CD ARG A 904 5.913 -8.012 -5.339 1.00 46.26 C ATOM 1654 NE ARG A 904 5.730 -9.449 -5.130 1.00 58.32 N ATOM 1655 CZ ARG A 904 5.192 -9.998 -4.044 1.00 77.40 C ATOM 1656 NH1 ARG A 904 4.782 -9.235 -3.037 1.00 65.34 N ATOM 1657 NH2 ARG A 904 5.069 -11.315 -3.951 1.00 68.27 N ATOM 1658 HE ARG A 904 6.044 -10.089 -5.887 1.00 0.00 H ATOM 1659 HH12 ARG A 904 4.362 -9.671 -2.191 1.00 0.00 H ATOM 1660 HH11 ARG A 904 4.881 -8.201 -3.094 1.00 0.00 H ATOM 1661 HH22 ARG A 904 4.648 -11.739 -3.100 1.00 0.00 H ATOM 1662 HH21 ARG A 904 5.394 -11.924 -4.729 1.00 0.00 H ATOM 1663 H ARG A 904 7.075 -3.368 -4.952 1.00 0.00 H ATOM 1664 N LYS A 905 7.133 -4.693 -1.822 1.00 33.40 N ATOM 1665 CA LYS A 905 7.247 -4.823 -0.360 1.00 34.08 C ATOM 1666 C LYS A 905 5.975 -4.310 0.324 1.00 40.03 C ATOM 1667 O LYS A 905 5.576 -4.845 1.354 1.00 39.68 O ATOM 1668 CB LYS A 905 8.464 -4.056 0.171 1.00 36.64 C ATOM 1669 CG LYS A 905 9.796 -4.726 -0.114 1.00 48.00 C ATOM 1670 CD LYS A 905 10.921 -4.127 0.731 1.00 56.63 C ATOM 1671 CE LYS A 905 11.639 -2.986 0.056 1.00 60.95 C ATOM 1672 NZ LYS A 905 12.869 -2.613 0.796 1.00 71.99 N ATOM 1673 HZ1 LYS A 905 12.616 -2.322 1.762 1.00 0.00 H ATOM 1674 HZ2 LYS A 905 13.510 -3.431 0.836 1.00 0.00 H ATOM 1675 HZ3 LYS A 905 13.341 -1.826 0.307 1.00 0.00 H ATOM 1676 H LYS A 905 7.724 -3.985 -2.302 1.00 0.00 H ATOM 1677 N MET A 906 5.344 -3.277 -0.255 1.00 37.56 N ATOM 1678 CA MET A 906 4.110 -2.685 0.236 1.00 38.38 C ATOM 1679 C MET A 906 2.878 -3.610 0.107 1.00 42.25 C ATOM 1680 O MET A 906 2.005 -3.581 0.992 1.00 40.77 O ATOM 1681 CB MET A 906 3.862 -1.342 -0.468 1.00 41.17 C ATOM 1682 CG MET A 906 3.174 -0.301 0.401 1.00 45.57 C ATOM 1683 SD MET A 906 3.773 -0.083 2.116 1.00 50.46 S ATOM 1684 CE MET A 906 5.492 0.205 1.849 1.00 47.43 C ATOM 1685 H MET A 906 5.767 -2.872 -1.114 1.00 0.00 H ATOM 1686 N VAL A 907 2.792 -4.412 -0.988 1.00 38.63 N ATOM 1687 CA VAL A 907 1.642 -5.316 -1.181 1.00 39.52 C ATOM 1688 C VAL A 907 1.623 -6.446 -0.133 1.00 47.79 C ATOM 1689 O VAL A 907 0.534 -6.925 0.195 1.00 48.10 O ATOM 1690 CB VAL A 907 1.415 -5.862 -2.616 1.00 42.48 C ATOM 1691 CG1 VAL A 907 0.956 -4.760 -3.559 1.00 42.00 C ATOM 1692 CG2 VAL A 907 2.635 -6.590 -3.161 1.00 42.24 C ATOM 1693 H VAL A 907 3.549 -4.388 -1.701 1.00 0.00 H ATOM 1694 N THR A 908 2.807 -6.818 0.426 1.00 46.95 N ATOM 1695 CA THR A 908 2.952 -7.840 1.485 1.00 48.38 C ATOM 1696 C THR A 908 2.151 -7.457 2.757 1.00 55.60 C ATOM 1697 O THR A 908 1.697 -8.340 3.486 1.00 55.54 O ATOM 1698 CB THR A 908 4.435 -8.144 1.811 1.00 53.37 C ATOM 1699 OG1 THR A 908 4.973 -7.111 2.637 1.00 56.29 O ATOM 1700 CG2 THR A 908 5.302 -8.368 0.572 1.00 47.66 C ATOM 1701 HG1 THR A 908 4.914 -6.245 2.161 1.00 0.00 H ATOM 1702 H THR A 908 3.671 -6.350 0.084 1.00 0.00 H ATOM 1703 N LYS A 909 1.959 -6.138 2.985 1.00 54.09 N ATOM 1704 CA LYS A 909 1.188 -5.578 4.099 1.00 55.06 C ATOM 1705 C LYS A 909 -0.334 -5.794 3.924 1.00 61.95 C ATOM 1706 O LYS A 909 -1.069 -5.748 4.916 1.00 62.01 O ATOM 1707 CB LYS A 909 1.544 -4.098 4.334 1.00 57.54 C ATOM 1708 CG LYS A 909 3.000 -3.901 4.759 1.00 70.92 C ATOM 1709 CD LYS A 909 3.357 -2.448 5.014 1.00 80.69 C ATOM 1710 CE LYS A 909 4.815 -2.312 5.391 1.00 89.87 C ATOM 1711 NZ LYS A 909 5.188 -0.904 5.690 1.00 96.84 N ATOM 1712 HZ1 LYS A 909 5.014 -0.315 4.851 1.00 0.00 H ATOM 1713 HZ2 LYS A 909 4.614 -0.556 6.484 1.00 0.00 H ATOM 1714 HZ3 LYS A 909 6.196 -0.860 5.943 1.00 0.00 H ATOM 1715 H LYS A 909 2.392 -5.468 2.318 1.00 0.00 H ATOM 1716 N SER A 910 -0.799 -6.066 2.678 1.00 60.11 N ATOM 1717 CA SER A 910 -2.207 -6.369 2.366 1.00 60.77 C ATOM 1718 C SER A 910 -2.331 -7.804 1.751 1.00 67.52 C ATOM 1719 O SER A 910 -2.628 -7.930 0.553 1.00 67.06 O ATOM 1720 CB SER A 910 -2.815 -5.312 1.440 1.00 63.41 C ATOM 1721 OG SER A 910 -2.857 -4.015 2.011 1.00 71.12 O ATOM 1722 HG SER A 910 -3.259 -3.383 1.363 1.00 0.00 H ATOM 1723 H SER A 910 -0.117 -6.060 1.893 1.00 0.00 H ATOM 1724 N PRO A 911 -2.102 -8.899 2.535 1.00 65.95 N ATOM 1725 CA PRO A 911 -2.203 -10.252 1.950 1.00 66.02 C ATOM 1726 C PRO A 911 -3.605 -10.873 1.994 1.00 69.82 C ATOM 1727 O PRO A 911 -4.472 -10.387 2.724 1.00 69.62 O ATOM 1728 CB PRO A 911 -1.185 -11.063 2.762 1.00 67.78 C ATOM 1729 CG PRO A 911 -1.021 -10.307 4.067 1.00 72.34 C ATOM 1730 CD PRO A 911 -1.725 -8.976 3.963 1.00 67.83 C ATOM 1731 N ASN A 912 -3.826 -11.950 1.203 1.00 66.10 N ATOM 1732 CA ASN A 912 -5.103 -12.668 1.134 1.00 90.98 C ATOM 1733 C ASN A 912 -5.237 -13.670 2.289 1.00119.50 C ATOM 1734 O ASN A 912 -6.316 -14.211 2.531 1.00 81.18 O ATOM 1735 CB ASN A 912 -5.273 -13.358 -0.234 1.00 90.86 C ATOM 1736 CG ASN A 912 -4.318 -14.496 -0.532 1.00109.12 C ATOM 1737 OD1 ASN A 912 -3.250 -14.645 0.069 1.00102.43 O ATOM 1738 ND2 ASN A 912 -4.681 -15.321 -1.500 1.00100.78 N ATOM 1739 HD22 ASN A 912 -5.585 -15.178 -1.994 1.00 0.00 H ATOM 1740 HD21 ASN A 912 -4.062 -16.113 -1.767 1.00 0.00 H ATOM 1741 H ASN A 912 -3.043 -12.288 0.608 1.00 0.00 H TER 1742 ASN A 912 ATOM 1743 N SER A 914 -4.530 -16.868 2.860 1.00 64.19 N ATOM 1744 CA SER A 914 -3.370 -17.698 2.529 1.00 63.76 C ATOM 1745 C SER A 914 -2.030 -17.016 2.840 1.00 66.32 C ATOM 1746 O SER A 914 -1.015 -17.704 2.980 1.00 66.13 O ATOM 1747 CB SER A 914 -3.419 -18.138 1.069 1.00 67.28 C ATOM 1748 OG SER A 914 -4.519 -19.000 0.832 1.00 75.94 O ATOM 1749 HG SER A 914 -4.526 -19.269 -0.121 1.00 0.00 H ATOM 1750 HN3 SER A 914 -4.491 -15.985 2.311 1.00 0.00 H ATOM 1751 HN2 SER A 914 -4.518 -16.647 3.876 1.00 0.00 H ATOM 1752 HN1 SER A 914 -5.402 -17.384 2.627 1.00 0.00 H ATOM 1753 N GLY A 915 -2.045 -15.684 2.943 1.00 61.31 N ATOM 1754 CA GLY A 915 -0.866 -14.875 3.243 1.00 60.17 C ATOM 1755 C GLY A 915 -0.017 -14.506 2.041 1.00 61.58 C ATOM 1756 O GLY A 915 1.102 -14.003 2.210 1.00 61.48 O ATOM 1757 H GLY A 915 -2.951 -15.193 2.801 1.00 0.00 H ATOM 1758 N GLN A 916 -0.543 -14.741 0.819 1.00 55.70 N ATOM 1759 CA GLN A 916 0.133 -14.436 -0.453 1.00 54.37 C ATOM 1760 C GLN A 916 -0.130 -12.976 -0.854 1.00 54.93 C ATOM 1761 O GLN A 916 -1.188 -12.425 -0.525 1.00 55.77 O ATOM 1762 CB GLN A 916 -0.356 -15.358 -1.585 1.00 55.60 C ATOM 1763 CG GLN A 916 -0.369 -16.847 -1.267 1.00 73.49 C ATOM 1764 CD GLN A 916 -1.124 -17.610 -2.326 1.00 96.46 C ATOM 1765 OE1 GLN A 916 -0.534 -18.193 -3.243 1.00 92.13 O ATOM 1766 NE2 GLN A 916 -2.449 -17.608 -2.234 1.00 89.75 N ATOM 1767 HE22 GLN A 916 -2.915 -17.108 -1.450 1.00 0.00 H ATOM 1768 HE21 GLN A 916 -3.020 -18.106 -2.946 1.00 0.00 H ATOM 1769 H GLN A 916 -1.491 -15.167 0.774 1.00 0.00 H ATOM 1770 N SER A 917 0.812 -12.370 -1.593 1.00 46.58 N ATOM 1771 CA SER A 917 0.689 -10.982 -2.050 1.00 44.53 C ATOM 1772 C SER A 917 0.923 -10.804 -3.563 1.00 43.51 C ATOM 1773 O SER A 917 0.626 -9.727 -4.089 1.00 42.31 O ATOM 1774 CB SER A 917 1.594 -10.066 -1.232 1.00 47.60 C ATOM 1775 OG SER A 917 2.937 -10.521 -1.244 1.00 56.38 O ATOM 1776 HG SER A 917 3.497 -9.907 -0.706 1.00 0.00 H ATOM 1777 H SER A 917 1.664 -12.907 -1.852 1.00 0.00 H ATOM 1778 N TRP A 918 1.426 -11.863 -4.267 1.00 36.37 N ATOM 1779 CA TRP A 918 1.672 -11.828 -5.712 1.00 34.51 C ATOM 1780 C TRP A 918 0.424 -11.399 -6.487 1.00 35.89 C ATOM 1781 O TRP A 918 0.536 -10.607 -7.426 1.00 35.18 O ATOM 1782 CB TRP A 918 2.283 -13.157 -6.260 1.00 32.60 C ATOM 1783 CG TRP A 918 1.401 -14.374 -6.163 1.00 32.86 C ATOM 1784 CD1 TRP A 918 1.459 -15.349 -5.212 1.00 35.65 C ATOM 1785 CD2 TRP A 918 0.377 -14.779 -7.092 1.00 32.57 C ATOM 1786 NE1 TRP A 918 0.517 -16.321 -5.469 1.00 34.90 N ATOM 1787 CE2 TRP A 918 -0.165 -15.994 -6.614 1.00 36.27 C ATOM 1788 CE3 TRP A 918 -0.146 -14.226 -8.276 1.00 33.88 C ATOM 1789 CZ2 TRP A 918 -1.208 -16.661 -7.271 1.00 35.56 C ATOM 1790 CZ3 TRP A 918 -1.202 -14.869 -8.909 1.00 35.40 C ATOM 1791 CH2 TRP A 918 -1.698 -16.092 -8.428 1.00 36.05 C ATOM 1792 HE1 TRP A 918 0.350 -17.167 -4.888 1.00 0.00 H ATOM 1793 H TRP A 918 1.645 -12.739 -3.751 1.00 0.00 H ATOM 1794 N GLN A 919 -0.766 -11.879 -6.054 1.00 31.30 N ATOM 1795 CA GLN A 919 -2.052 -11.545 -6.672 1.00 31.30 C ATOM 1796 C GLN A 919 -2.292 -10.026 -6.656 1.00 35.06 C ATOM 1797 O GLN A 919 -2.586 -9.456 -7.701 1.00 35.05 O ATOM 1798 CB GLN A 919 -3.228 -12.273 -5.991 1.00 32.62 C ATOM 1799 CG GLN A 919 -3.217 -13.791 -6.099 1.00 52.99 C ATOM 1800 CD GLN A 919 -3.077 -14.485 -4.761 1.00 77.10 C ATOM 1801 OE1 GLN A 919 -2.239 -14.126 -3.918 1.00 73.09 O ATOM 1802 NE2 GLN A 919 -3.863 -15.534 -4.558 1.00 69.48 N ATOM 1803 HE22 GLN A 919 -4.556 -15.812 -5.282 1.00 0.00 H ATOM 1804 HE21 GLN A 919 -3.786 -16.078 -3.675 1.00 0.00 H ATOM 1805 H GLN A 919 -0.767 -12.521 -5.236 1.00 0.00 H ATOM 1806 N ARG A 920 -2.130 -9.378 -5.482 1.00 31.36 N ATOM 1807 CA ARG A 920 -2.324 -7.932 -5.326 1.00 29.94 C ATOM 1808 C ARG A 920 -1.337 -7.140 -6.180 1.00 31.17 C ATOM 1809 O ARG A 920 -1.745 -6.182 -6.833 1.00 30.28 O ATOM 1810 CB ARG A 920 -2.232 -7.500 -3.854 1.00 26.90 C ATOM 1811 CG ARG A 920 -2.715 -6.075 -3.676 1.00 21.25 C ATOM 1812 CD ARG A 920 -3.038 -5.760 -2.252 1.00 33.18 C ATOM 1813 NE ARG A 920 -3.522 -4.386 -2.104 1.00 28.50 N ATOM 1814 CZ ARG A 920 -4.794 -4.028 -2.188 1.00 39.87 C ATOM 1815 NH1 ARG A 920 -5.726 -4.932 -2.456 1.00 30.33 N ATOM 1816 NH2 ARG A 920 -5.146 -2.761 -2.011 1.00 29.39 N ATOM 1817 HE ARG A 920 -2.820 -3.641 -1.921 1.00 0.00 H ATOM 1818 HH12 ARG A 920 -6.724 -4.646 -2.521 1.00 0.00 H ATOM 1819 HH11 ARG A 920 -5.459 -5.927 -2.601 1.00 0.00 H ATOM 1820 HH22 ARG A 920 -6.146 -2.485 -2.078 1.00 0.00 H ATOM 1821 HH21 ARG A 920 -4.421 -2.044 -1.805 1.00 0.00 H ATOM 1822 H ARG A 920 -1.854 -9.932 -4.646 1.00 0.00 H ATOM 1823 N PHE A 921 -0.052 -7.551 -6.181 1.00 26.39 N ATOM 1824 CA PHE A 921 0.984 -6.915 -6.980 1.00 25.95 C ATOM 1825 C PHE A 921 0.619 -6.867 -8.479 1.00 29.82 C ATOM 1826 O PHE A 921 0.779 -5.819 -9.112 1.00 28.70 O ATOM 1827 CB PHE A 921 2.345 -7.593 -6.756 1.00 27.18 C ATOM 1828 CG PHE A 921 3.466 -6.985 -7.568 1.00 28.04 C ATOM 1829 CD1 PHE A 921 3.998 -5.739 -7.230 1.00 31.31 C ATOM 1830 CD2 PHE A 921 3.972 -7.641 -8.683 1.00 28.24 C ATOM 1831 CE1 PHE A 921 5.038 -5.175 -7.980 1.00 31.14 C ATOM 1832 CE2 PHE A 921 4.983 -7.061 -9.451 1.00 31.14 C ATOM 1833 CZ PHE A 921 5.526 -5.843 -9.082 1.00 29.53 C ATOM 1834 H PHE A 921 0.210 -8.360 -5.583 1.00 0.00 H ATOM 1835 N TYR A 922 0.107 -7.992 -9.029 1.00 25.81 N ATOM 1836 CA TYR A 922 -0.297 -8.042 -10.428 1.00 25.34 C ATOM 1837 C TYR A 922 -1.574 -7.278 -10.699 1.00 27.85 C ATOM 1838 O TYR A 922 -1.737 -6.764 -11.800 1.00 27.00 O ATOM 1839 CB TYR A 922 -0.368 -9.473 -10.943 1.00 26.55 C ATOM 1840 CG TYR A 922 1.003 -10.069 -11.152 1.00 28.42 C ATOM 1841 CD1 TYR A 922 1.818 -9.643 -12.197 1.00 29.96 C ATOM 1842 CD2 TYR A 922 1.487 -11.064 -10.308 1.00 29.21 C ATOM 1843 CE1 TYR A 922 3.081 -10.192 -12.397 1.00 30.03 C ATOM 1844 CE2 TYR A 922 2.745 -11.623 -10.499 1.00 30.31 C ATOM 1845 CZ TYR A 922 3.538 -11.187 -11.548 1.00 35.42 C ATOM 1846 OH TYR A 922 4.757 -11.762 -11.765 1.00 30.87 O ATOM 1847 HH TYR A 922 5.187 -11.335 -12.548 1.00 0.00 H ATOM 1848 H TYR A 922 -0.001 -8.842 -8.439 1.00 0.00 H ATOM 1849 N GLN A 923 -2.465 -7.158 -9.699 1.00 24.30 N ATOM 1850 CA GLN A 923 -3.663 -6.342 -9.848 1.00 24.25 C ATOM 1851 C GLN A 923 -3.252 -4.848 -9.898 1.00 25.55 C ATOM 1852 O GLN A 923 -3.901 -4.059 -10.565 1.00 23.94 O ATOM 1853 CB GLN A 923 -4.630 -6.567 -8.664 1.00 26.41 C ATOM 1854 CG GLN A 923 -5.285 -7.952 -8.681 1.00 34.69 C ATOM 1855 CD GLN A 923 -6.220 -8.189 -7.524 1.00 53.72 C ATOM 1856 OE1 GLN A 923 -7.401 -8.508 -7.716 1.00 55.62 O ATOM 1857 NE2 GLN A 923 -5.722 -8.051 -6.295 1.00 32.25 N ATOM 1858 HE22 GLN A 923 -4.726 -7.782 -6.165 1.00 0.00 H ATOM 1859 HE21 GLN A 923 -6.330 -8.212 -5.467 1.00 0.00 H ATOM 1860 H GLN A 923 -2.296 -7.657 -8.802 1.00 0.00 H ATOM 1861 N LEU A 924 -2.172 -4.487 -9.195 1.00 21.88 N ATOM 1862 CA LEU A 924 -1.684 -3.121 -9.134 1.00 22.39 C ATOM 1863 C LEU A 924 -0.926 -2.732 -10.392 1.00 24.08 C ATOM 1864 O LEU A 924 -1.164 -1.654 -10.928 1.00 22.93 O ATOM 1865 CB LEU A 924 -0.876 -2.857 -7.842 1.00 22.33 C ATOM 1866 CG LEU A 924 -1.696 -2.830 -6.528 1.00 26.66 C ATOM 1867 CD1 LEU A 924 -0.888 -2.210 -5.396 1.00 26.09 C ATOM 1868 CD2 LEU A 924 -3.003 -2.040 -6.697 1.00 28.03 C ATOM 1869 H LEU A 924 -1.657 -5.220 -8.667 1.00 0.00 H ATOM 1870 N THR A 925 -0.116 -3.654 -10.930 1.00 20.38 N ATOM 1871 CA THR A 925 0.626 -3.386 -12.161 1.00 20.14 C ATOM 1872 C THR A 925 -0.324 -3.327 -13.356 1.00 24.48 C ATOM 1873 O THR A 925 -0.088 -2.542 -14.273 1.00 23.71 O ATOM 1874 CB THR A 925 1.781 -4.369 -12.350 1.00 24.00 C ATOM 1875 OG1 THR A 925 1.241 -5.675 -12.316 1.00 21.42 O ATOM 1876 CG2 THR A 925 2.884 -4.210 -11.295 1.00 22.48 C ATOM 1877 HG1 THR A 925 0.579 -5.776 -13.045 1.00 0.00 H ATOM 1878 H THR A 925 -0.013 -4.578 -10.463 1.00 0.00 H ATOM 1879 N LYS A 926 -1.426 -4.115 -13.310 1.00 21.25 N ATOM 1880 CA LYS A 926 -2.465 -4.139 -14.349 1.00 22.07 C ATOM 1881 C LYS A 926 -3.220 -2.791 -14.332 1.00 27.15 C ATOM 1882 O LYS A 926 -3.457 -2.199 -15.388 1.00 27.47 O ATOM 1883 CB LYS A 926 -3.434 -5.316 -14.111 1.00 24.77 C ATOM 1884 CG LYS A 926 -4.586 -5.416 -15.110 1.00 41.05 C ATOM 1885 CD LYS A 926 -5.525 -6.582 -14.790 1.00 50.71 C ATOM 1886 CE LYS A 926 -6.651 -6.697 -15.798 1.00 57.35 C ATOM 1887 NZ LYS A 926 -7.651 -7.724 -15.399 1.00 63.48 N ATOM 1888 HZ1 LYS A 926 -7.184 -8.650 -15.325 1.00 0.00 H ATOM 1889 HZ2 LYS A 926 -8.062 -7.467 -14.479 1.00 0.00 H ATOM 1890 HZ3 LYS A 926 -8.403 -7.770 -16.115 1.00 0.00 H ATOM 1891 H LYS A 926 -1.544 -4.742 -12.488 1.00 0.00 H ATOM 1892 N LEU A 927 -3.590 -2.322 -13.129 1.00 22.92 N ATOM 1893 CA LEU A 927 -4.258 -1.039 -12.951 1.00 23.90 C ATOM 1894 C LEU A 927 -3.356 0.093 -13.466 1.00 28.36 C ATOM 1895 O LEU A 927 -3.852 0.975 -14.152 1.00 29.59 O ATOM 1896 CB LEU A 927 -4.686 -0.843 -11.483 1.00 23.98 C ATOM 1897 CG LEU A 927 -5.460 0.432 -11.119 1.00 29.59 C ATOM 1898 CD1 LEU A 927 -6.780 0.529 -11.868 1.00 29.45 C ATOM 1899 CD2 LEU A 927 -5.716 0.479 -9.629 1.00 33.50 C ATOM 1900 H LEU A 927 -3.391 -2.900 -12.288 1.00 0.00 H ATOM 1901 N LEU A 928 -2.035 0.013 -13.222 1.00 26.54 N ATOM 1902 CA LEU A 928 -1.078 1.005 -13.725 1.00 27.06 C ATOM 1903 C LEU A 928 -1.027 1.039 -15.249 1.00 29.52 C ATOM 1904 O LEU A 928 -1.118 2.121 -15.834 1.00 28.41 O ATOM 1905 CB LEU A 928 0.321 0.832 -13.123 1.00 27.06 C ATOM 1906 CG LEU A 928 0.486 1.393 -11.712 1.00 31.62 C ATOM 1907 CD1 LEU A 928 1.797 0.977 -11.107 1.00 31.91 C ATOM 1908 CD2 LEU A 928 0.336 2.889 -11.684 1.00 31.73 C ATOM 1909 H LEU A 928 -1.679 -0.783 -12.655 1.00 0.00 H ATOM 1910 N ASP A 929 -0.949 -0.144 -15.881 1.00 25.15 N ATOM 1911 CA ASP A 929 -0.935 -0.297 -17.340 1.00 24.37 C ATOM 1912 C ASP A 929 -2.176 0.263 -18.003 1.00 26.31 C ATOM 1913 O ASP A 929 -2.066 0.869 -19.067 1.00 25.97 O ATOM 1914 CB ASP A 929 -0.740 -1.779 -17.741 1.00 25.74 C ATOM 1915 CG ASP A 929 0.682 -2.288 -17.666 1.00 27.25 C ATOM 1916 OD1 ASP A 929 1.584 -1.488 -17.356 1.00 27.91 O ATOM 1917 OD2 ASP A 929 0.898 -3.490 -17.933 1.00 27.74 O ATOM 1918 H ASP A 929 -0.895 -1.005 -15.300 1.00 0.00 H ATOM 1919 N SER A 930 -3.358 0.061 -17.379 1.00 23.39 N ATOM 1920 CA SER A 930 -4.643 0.528 -17.862 1.00 23.13 C ATOM 1921 C SER A 930 -4.778 2.092 -17.833 1.00 29.93 C ATOM 1922 O SER A 930 -5.712 2.634 -18.424 1.00 30.30 O ATOM 1923 CB SER A 930 -5.785 -0.176 -17.131 1.00 26.86 C ATOM 1924 OG SER A 930 -6.178 0.491 -15.944 1.00 34.09 O ATOM 1925 HG SER A 930 -5.408 0.539 -15.324 1.00 0.00 H ATOM 1926 H SER A 930 -3.345 -0.470 -16.485 1.00 0.00 H ATOM 1927 N MET A 931 -3.824 2.798 -17.190 1.00 26.11 N ATOM 1928 CA MET A 931 -3.800 4.261 -17.166 1.00 25.16 C ATOM 1929 C MET A 931 -3.386 4.808 -18.540 1.00 31.21 C ATOM 1930 O MET A 931 -3.947 5.808 -18.957 1.00 30.01 O ATOM 1931 CB MET A 931 -2.861 4.804 -16.067 1.00 25.98 C ATOM 1932 CG MET A 931 -3.407 4.674 -14.645 1.00 28.00 C ATOM 1933 SD MET A 931 -5.029 5.444 -14.348 1.00 30.62 S ATOM 1934 CE MET A 931 -4.590 7.269 -14.553 1.00 27.53 C ATOM 1935 H MET A 931 -3.074 2.280 -16.690 1.00 0.00 H ATOM 1936 N HIS A 932 -2.438 4.137 -19.250 1.00 29.92 N ATOM 1937 CA HIS A 932 -1.946 4.576 -20.565 1.00 31.11 C ATOM 1938 C HIS A 932 -3.070 4.808 -21.606 1.00 32.07 C ATOM 1939 O HIS A 932 -3.057 5.818 -22.310 1.00 29.11 O ATOM 1940 CB HIS A 932 -0.886 3.607 -21.144 1.00 32.89 C ATOM 1941 CG HIS A 932 0.464 3.632 -20.486 1.00 37.51 C ATOM 1942 ND1 HIS A 932 1.192 4.810 -20.354 1.00 39.88 N ATOM 1943 CD2 HIS A 932 1.223 2.601 -20.042 1.00 39.48 C ATOM 1944 CE1 HIS A 932 2.331 4.466 -19.776 1.00 39.21 C ATOM 1945 NE2 HIS A 932 2.395 3.146 -19.567 1.00 39.53 N ATOM 1946 H HIS A 932 -2.040 3.267 -18.841 1.00 0.00 H ATOM 1947 N ASP A 933 -4.014 3.869 -21.706 1.00 29.21 N ATOM 1948 CA ASP A 933 -5.119 3.920 -22.673 1.00 29.60 C ATOM 1949 C ASP A 933 -6.117 5.043 -22.387 1.00 32.00 C ATOM 1950 O ASP A 933 -6.505 5.775 -23.314 1.00 31.10 O ATOM 1951 CB ASP A 933 -5.806 2.552 -22.775 1.00 32.26 C ATOM 1952 CG ASP A 933 -4.812 1.434 -23.048 1.00 51.60 C ATOM 1953 OD1 ASP A 933 -4.286 0.847 -22.061 1.00 52.83 O ATOM 1954 OD2 ASP A 933 -4.472 1.221 -24.238 1.00 58.05 O ATOM 1955 H ASP A 933 -3.964 3.054 -21.062 1.00 0.00 H ATOM 1956 N LEU A 934 -6.510 5.202 -21.106 1.00 27.93 N ATOM 1957 CA LEU A 934 -7.394 6.288 -20.682 1.00 27.06 C ATOM 1958 C LEU A 934 -6.700 7.654 -20.921 1.00 25.97 C ATOM 1959 O LEU A 934 -7.325 8.577 -21.434 1.00 24.02 O ATOM 1960 CB LEU A 934 -7.782 6.114 -19.197 1.00 27.81 C ATOM 1961 CG LEU A 934 -8.245 7.404 -18.466 1.00 33.78 C ATOM 1962 CD1 LEU A 934 -9.723 7.726 -18.728 1.00 33.93 C ATOM 1963 CD2 LEU A 934 -7.938 7.331 -17.011 1.00 37.85 C ATOM 1964 H LEU A 934 -6.171 4.526 -20.392 1.00 0.00 H ATOM 1965 N VAL A 935 -5.403 7.753 -20.568 1.00 23.21 N ATOM 1966 CA VAL A 935 -4.577 8.962 -20.734 1.00 22.50 C ATOM 1967 C VAL A 935 -4.370 9.282 -22.225 1.00 26.62 C ATOM 1968 O VAL A 935 -4.379 10.451 -22.590 1.00 24.97 O ATOM 1969 CB VAL A 935 -3.264 8.861 -19.906 1.00 24.53 C ATOM 1970 CG1 VAL A 935 -2.231 9.920 -20.298 1.00 24.14 C ATOM 1971 CG2 VAL A 935 -3.589 8.956 -18.430 1.00 23.64 C ATOM 1972 H VAL A 935 -4.952 6.915 -20.148 1.00 0.00 H ATOM 1973 N SER A 936 -4.283 8.245 -23.084 1.00 25.77 N ATOM 1974 CA SER A 936 -4.188 8.419 -24.537 1.00 26.23 C ATOM 1975 C SER A 936 -5.458 9.164 -25.059 1.00 29.49 C ATOM 1976 O SER A 936 -5.349 10.076 -25.887 1.00 29.30 O ATOM 1977 CB SER A 936 -4.024 7.061 -25.216 1.00 31.02 C ATOM 1978 OG SER A 936 -3.892 7.204 -26.619 1.00 44.21 O ATOM 1979 HG SER A 936 -4.701 7.644 -26.982 1.00 0.00 H ATOM 1980 H SER A 936 -4.283 7.279 -22.698 1.00 0.00 H ATOM 1981 N ASP A 937 -6.638 8.817 -24.509 1.00 25.18 N ATOM 1982 CA ASP A 937 -7.916 9.435 -24.857 1.00 25.09 C ATOM 1983 C ASP A 937 -8.047 10.845 -24.305 1.00 25.77 C ATOM 1984 O ASP A 937 -8.589 11.699 -24.998 1.00 24.02 O ATOM 1985 CB ASP A 937 -9.101 8.557 -24.406 1.00 27.34 C ATOM 1986 CG ASP A 937 -9.266 7.257 -25.181 1.00 39.89 C ATOM 1987 OD1 ASP A 937 -8.620 7.109 -26.249 1.00 39.98 O ATOM 1988 OD2 ASP A 937 -10.036 6.389 -24.723 1.00 43.79 O ATOM 1989 H ASP A 937 -6.640 8.063 -23.793 1.00 0.00 H ATOM 1990 N LEU A 938 -7.574 11.090 -23.063 1.00 23.42 N ATOM 1991 CA LEU A 938 -7.621 12.427 -22.431 1.00 24.46 C ATOM 1992 C LEU A 938 -6.720 13.394 -23.195 1.00 27.29 C ATOM 1993 O LEU A 938 -7.105 14.533 -23.433 1.00 27.38 O ATOM 1994 CB LEU A 938 -7.197 12.368 -20.939 1.00 24.57 C ATOM 1995 CG LEU A 938 -8.172 11.682 -19.976 1.00 29.43 C ATOM 1996 CD1 LEU A 938 -7.501 11.358 -18.644 1.00 30.39 C ATOM 1997 CD2 LEU A 938 -9.432 12.521 -19.767 1.00 30.14 C ATOM 1998 H LEU A 938 -7.158 10.302 -22.527 1.00 0.00 H ATOM 1999 N LEU A 939 -5.555 12.906 -23.630 1.00 24.67 N ATOM 2000 CA LEU A 939 -4.584 13.675 -24.397 1.00 25.01 C ATOM 2001 C LEU A 939 -5.113 14.017 -25.761 1.00 30.18 C ATOM 2002 O LEU A 939 -4.902 15.140 -26.214 1.00 30.10 O ATOM 2003 CB LEU A 939 -3.215 12.974 -24.480 1.00 24.45 C ATOM 2004 CG LEU A 939 -2.356 13.008 -23.214 1.00 28.39 C ATOM 2005 CD1 LEU A 939 -1.193 12.050 -23.329 1.00 28.16 C ATOM 2006 CD2 LEU A 939 -1.891 14.436 -22.862 1.00 30.34 C ATOM 2007 H LEU A 939 -5.327 11.916 -23.407 1.00 0.00 H ATOM 2008 N GLU A 940 -5.871 13.092 -26.388 1.00 26.92 N ATOM 2009 CA GLU A 940 -6.496 13.343 -27.681 1.00 26.88 C ATOM 2010 C GLU A 940 -7.516 14.496 -27.555 1.00 28.39 C ATOM 2011 O GLU A 940 -7.537 15.399 -28.411 1.00 26.61 O ATOM 2012 CB GLU A 940 -7.148 12.063 -28.193 1.00 29.16 C ATOM 2013 CG GLU A 940 -7.746 12.173 -29.585 1.00 45.14 C ATOM 2014 CD GLU A 940 -8.544 10.962 -30.035 1.00 75.85 C ATOM 2015 OE1 GLU A 940 -9.153 11.035 -31.128 1.00 63.47 O ATOM 2016 OE2 GLU A 940 -8.575 9.950 -29.295 1.00 78.24 O ATOM 2017 H GLU A 940 -6.014 12.168 -25.933 1.00 0.00 H ATOM 2018 N PHE A 941 -8.324 14.481 -26.461 1.00 23.32 N ATOM 2019 CA PHE A 941 -9.296 15.535 -26.180 1.00 23.15 C ATOM 2020 C PHE A 941 -8.541 16.844 -25.901 1.00 27.33 C ATOM 2021 O PHE A 941 -8.923 17.889 -26.423 1.00 27.11 O ATOM 2022 CB PHE A 941 -10.206 15.154 -24.994 1.00 24.57 C ATOM 2023 CG PHE A 941 -11.279 16.178 -24.705 1.00 26.54 C ATOM 2024 CD1 PHE A 941 -12.484 16.163 -25.401 1.00 31.02 C ATOM 2025 CD2 PHE A 941 -11.067 17.191 -23.776 1.00 28.67 C ATOM 2026 CE1 PHE A 941 -13.457 17.140 -25.171 1.00 31.56 C ATOM 2027 CE2 PHE A 941 -12.044 18.158 -23.538 1.00 32.34 C ATOM 2028 CZ PHE A 941 -13.229 18.133 -24.242 1.00 30.41 C ATOM 2029 H PHE A 941 -8.247 13.685 -25.796 1.00 0.00 H ATOM 2030 N CYS A 942 -7.484 16.774 -25.065 1.00 24.09 N ATOM 2031 CA CYS A 942 -6.629 17.906 -24.716 1.00 25.49 C ATOM 2032 C CYS A 942 -6.099 18.595 -25.964 1.00 28.40 C ATOM 2033 O CYS A 942 -6.321 19.787 -26.142 1.00 28.95 O ATOM 2034 CB CYS A 942 -5.481 17.449 -23.812 1.00 26.80 C ATOM 2035 SG CYS A 942 -4.374 18.780 -23.276 1.00 30.68 S ATOM 2036 H CYS A 942 -7.263 15.851 -24.640 1.00 0.00 H ATOM 2037 N PHE A 943 -5.441 17.828 -26.838 1.00 24.27 N ATOM 2038 CA PHE A 943 -4.814 18.333 -28.055 1.00 25.02 C ATOM 2039 C PHE A 943 -5.799 19.007 -28.990 1.00 30.73 C ATOM 2040 O PHE A 943 -5.485 20.082 -29.495 1.00 30.14 O ATOM 2041 CB PHE A 943 -3.989 17.237 -28.764 1.00 26.36 C ATOM 2042 CG PHE A 943 -2.859 16.654 -27.946 1.00 27.90 C ATOM 2043 CD1 PHE A 943 -2.349 17.334 -26.836 1.00 29.66 C ATOM 2044 CD2 PHE A 943 -2.287 15.434 -28.293 1.00 29.04 C ATOM 2045 CE1 PHE A 943 -1.321 16.782 -26.070 1.00 30.15 C ATOM 2046 CE2 PHE A 943 -1.244 14.894 -27.532 1.00 31.72 C ATOM 2047 CZ PHE A 943 -0.761 15.578 -26.436 1.00 29.36 C ATOM 2048 H PHE A 943 -5.372 16.810 -26.639 1.00 0.00 H ATOM 2049 N TYR A 944 -7.015 18.429 -29.150 1.00 29.31 N ATOM 2050 CA TYR A 944 -8.083 19.014 -29.961 1.00 29.11 C ATOM 2051 C TYR A 944 -8.503 20.373 -29.401 1.00 29.55 C ATOM 2052 O TYR A 944 -8.596 21.343 -30.156 1.00 27.15 O ATOM 2053 CB TYR A 944 -9.308 18.071 -30.048 1.00 31.54 C ATOM 2054 CG TYR A 944 -10.493 18.691 -30.761 1.00 35.52 C ATOM 2055 CD1 TYR A 944 -10.635 18.585 -32.141 1.00 38.71 C ATOM 2056 CD2 TYR A 944 -11.480 19.374 -30.055 1.00 36.84 C ATOM 2057 CE1 TYR A 944 -11.719 19.159 -32.804 1.00 40.51 C ATOM 2058 CE2 TYR A 944 -12.548 19.985 -30.712 1.00 38.36 C ATOM 2059 CZ TYR A 944 -12.672 19.861 -32.085 1.00 47.01 C ATOM 2060 OH TYR A 944 -13.746 20.423 -32.734 1.00 48.72 O ATOM 2061 HH TYR A 944 -13.677 20.239 -33.704 1.00 0.00 H ATOM 2062 H TYR A 944 -7.198 17.524 -28.672 1.00 0.00 H ATOM 2063 N THR A 945 -8.775 20.434 -28.088 1.00 26.70 N ATOM 2064 CA THR A 945 -9.233 21.663 -27.437 1.00 26.96 C ATOM 2065 C THR A 945 -8.171 22.749 -27.458 1.00 29.49 C ATOM 2066 O THR A 945 -8.533 23.919 -27.497 1.00 28.32 O ATOM 2067 CB THR A 945 -9.790 21.418 -26.032 1.00 33.51 C ATOM 2068 OG1 THR A 945 -8.727 21.004 -25.173 1.00 39.63 O ATOM 2069 CG2 THR A 945 -10.931 20.405 -26.023 1.00 27.04 C ATOM 2070 HG1 THR A 945 -8.327 20.169 -25.523 1.00 0.00 H ATOM 2071 H THR A 945 -8.656 19.577 -27.512 1.00 0.00 H ATOM 2072 N PHE A 946 -6.884 22.365 -27.422 1.00 26.64 N ATOM 2073 CA PHE A 946 -5.732 23.278 -27.479 1.00 27.71 C ATOM 2074 C PHE A 946 -5.550 23.894 -28.884 1.00 34.03 C ATOM 2075 O PHE A 946 -5.242 25.079 -28.997 1.00 30.56 O ATOM 2076 CB PHE A 946 -4.444 22.557 -27.027 1.00 28.53 C ATOM 2077 CG PHE A 946 -3.273 23.474 -26.766 1.00 28.23 C ATOM 2078 CD1 PHE A 946 -3.190 24.205 -25.585 1.00 29.80 C ATOM 2079 CD2 PHE A 946 -2.239 23.591 -27.692 1.00 28.85 C ATOM 2080 CE1 PHE A 946 -2.099 25.042 -25.340 1.00 30.27 C ATOM 2081 CE2 PHE A 946 -1.125 24.390 -27.424 1.00 30.90 C ATOM 2082 CZ PHE A 946 -1.066 25.116 -26.254 1.00 29.07 C ATOM 2083 H PHE A 946 -6.688 21.346 -27.348 1.00 0.00 H ATOM 2084 N ARG A 947 -5.727 23.080 -29.943 1.00 35.53 N ATOM 2085 CA ARG A 947 -5.636 23.498 -31.349 1.00 37.42 C ATOM 2086 C ARG A 947 -6.782 24.425 -31.759 1.00 46.08 C ATOM 2087 O ARG A 947 -6.625 25.199 -32.704 1.00 46.26 O ATOM 2088 CB ARG A 947 -5.681 22.275 -32.256 1.00 39.06 C ATOM 2089 CG ARG A 947 -4.341 21.646 -32.538 1.00 45.23 C ATOM 2090 CD ARG A 947 -4.536 20.765 -33.748 1.00 51.58 C ATOM 2091 NE ARG A 947 -3.271 20.281 -34.282 1.00 55.75 N ATOM 2092 CZ ARG A 947 -2.711 19.129 -33.937 1.00 66.80 C ATOM 2093 NH1 ARG A 947 -1.553 18.765 -34.467 1.00 55.28 N ATOM 2094 NH2 ARG A 947 -3.307 18.330 -33.054 1.00 46.68 N ATOM 2095 HE ARG A 947 -2.776 20.875 -34.977 1.00 0.00 H ATOM 2096 HH12 ARG A 947 -1.117 17.861 -34.194 1.00 0.00 H ATOM 2097 HH11 ARG A 947 -1.079 19.383 -35.156 1.00 0.00 H ATOM 2098 HH22 ARG A 947 -2.864 17.428 -32.787 1.00 0.00 H ATOM 2099 HH21 ARG A 947 -4.216 18.608 -32.631 1.00 0.00 H ATOM 2100 H ARG A 947 -5.944 22.081 -29.751 1.00 0.00 H ATOM 2101 N GLU A 948 -7.935 24.329 -31.073 1.00 46.28 N ATOM 2102 CA GLU A 948 -9.143 25.114 -31.358 1.00 47.95 C ATOM 2103 C GLU A 948 -9.664 25.899 -30.122 1.00 54.66 C ATOM 2104 O GLU A 948 -10.854 26.226 -30.081 1.00 55.67 O ATOM 2105 CB GLU A 948 -10.237 24.155 -31.876 1.00 49.65 C ATOM 2106 CG GLU A 948 -10.012 23.649 -33.292 1.00 62.68 C ATOM 2107 CD GLU A 948 -10.735 24.407 -34.392 1.00 90.41 C ATOM 2108 OE1 GLU A 948 -11.079 23.769 -35.413 1.00 85.35 O ATOM 2109 OE2 GLU A 948 -10.958 25.631 -34.241 1.00 88.14 O ATOM 2110 H GLU A 948 -7.974 23.651 -30.285 1.00 0.00 H ATOM 2111 N SER A 949 -8.775 26.228 -29.142 1.00 52.20 N ATOM 2112 CA SER A 949 -9.112 26.872 -27.859 1.00 52.55 C ATOM 2113 C SER A 949 -10.035 28.101 -27.956 1.00 59.49 C ATOM 2114 O SER A 949 -11.059 28.090 -27.270 1.00 58.62 O ATOM 2115 CB SER A 949 -7.865 27.187 -27.035 1.00 54.74 C ATOM 2116 OG SER A 949 -7.431 28.537 -27.072 1.00 61.17 O ATOM 2117 HG SER A 949 -6.622 28.638 -26.510 1.00 0.00 H ATOM 2118 H SER A 949 -7.774 26.006 -29.314 1.00 0.00 H ATOM 2119 N HIS A 950 -9.713 29.128 -28.788 1.00 58.95 N ATOM 2120 CA HIS A 950 -10.589 30.312 -28.878 1.00 60.06 C ATOM 2121 C HIS A 950 -11.938 30.032 -29.558 1.00 64.66 C ATOM 2122 O HIS A 950 -12.952 30.563 -29.106 1.00 64.86 O ATOM 2123 CB HIS A 950 -9.913 31.539 -29.503 1.00 61.14 C ATOM 2124 CG HIS A 950 -10.781 32.760 -29.414 1.00 64.85 C ATOM 2125 ND1 HIS A 950 -11.147 33.300 -28.186 1.00 66.72 N ATOM 2126 CD2 HIS A 950 -11.400 33.456 -30.396 1.00 66.85 C ATOM 2127 CE1 HIS A 950 -11.938 34.325 -28.465 1.00 66.23 C ATOM 2128 NE2 HIS A 950 -12.119 34.460 -29.781 1.00 66.58 N ATOM 2129 H HIS A 950 -8.847 29.079 -29.362 1.00 0.00 H ATOM 2130 N ALA A 951 -11.955 29.185 -30.611 1.00 61.60 N ATOM 2131 CA ALA A 951 -13.177 28.777 -31.325 1.00 61.45 C ATOM 2132 C ALA A 951 -14.149 28.064 -30.359 1.00 65.17 C ATOM 2133 O ALA A 951 -15.372 28.195 -30.495 1.00 64.94 O ATOM 2134 CB ALA A 951 -12.821 27.857 -32.486 1.00 62.15 C ATOM 2135 H ALA A 951 -11.047 28.797 -30.938 1.00 0.00 H ATOM 2136 N LEU A 952 -13.583 27.343 -29.365 1.00 60.61 N ATOM 2137 CA LEU A 952 -14.311 26.627 -28.318 1.00 59.87 C ATOM 2138 C LEU A 952 -14.442 27.476 -27.029 1.00 60.97 C ATOM 2139 O LEU A 952 -15.141 27.049 -26.105 1.00 61.75 O ATOM 2140 CB LEU A 952 -13.630 25.269 -28.014 1.00 60.28 C ATOM 2141 CG LEU A 952 -13.544 24.247 -29.164 1.00 65.60 C ATOM 2142 CD1 LEU A 952 -12.437 23.236 -28.912 1.00 65.76 C ATOM 2143 CD2 LEU A 952 -14.881 23.542 -29.403 1.00 67.76 C ATOM 2144 H LEU A 952 -12.544 27.294 -29.343 1.00 0.00 H ATOM 2145 N LYS A 953 -13.789 28.683 -26.984 1.00 53.32 N ATOM 2146 CA LYS A 953 -13.749 29.652 -25.862 1.00 51.03 C ATOM 2147 C LYS A 953 -13.129 29.052 -24.556 1.00 49.00 C ATOM 2148 O LYS A 953 -13.452 29.474 -23.438 1.00 48.83 O ATOM 2149 CB LYS A 953 -15.130 30.299 -25.611 1.00 53.71 C ATOM 2150 CG LYS A 953 -15.475 31.384 -26.625 1.00 66.96 C ATOM 2151 CD LYS A 953 -16.559 32.311 -26.114 1.00 76.76 C ATOM 2152 CE LYS A 953 -16.525 33.645 -26.820 1.00 87.85 C ATOM 2153 NZ LYS A 953 -17.270 34.696 -26.072 1.00 96.64 N ATOM 2154 HZ1 LYS A 953 -18.264 34.409 -25.970 1.00 0.00 H ATOM 2155 HZ2 LYS A 953 -16.845 34.817 -25.131 1.00 0.00 H ATOM 2156 HZ3 LYS A 953 -17.219 35.594 -26.595 1.00 0.00 H ATOM 2157 H LYS A 953 -13.259 28.949 -27.838 1.00 0.00 H ATOM 2158 N VAL A 954 -12.204 28.095 -24.726 1.00 40.03 N ATOM 2159 CA VAL A 954 -11.528 27.384 -23.643 1.00 37.82 C ATOM 2160 C VAL A 954 -10.157 28.027 -23.343 1.00 36.07 C ATOM 2161 O VAL A 954 -9.306 28.162 -24.230 1.00 34.46 O ATOM 2162 CB VAL A 954 -11.443 25.860 -23.936 1.00 41.91 C ATOM 2163 CG1 VAL A 954 -10.790 25.109 -22.782 1.00 41.34 C ATOM 2164 CG2 VAL A 954 -12.832 25.276 -24.227 1.00 41.86 C ATOM 2165 H VAL A 954 -11.949 27.840 -25.702 1.00 0.00 H ATOM 2166 N GLU A 955 -9.964 28.440 -22.094 1.00 29.48 N ATOM 2167 CA GLU A 955 -8.718 29.075 -21.677 1.00 28.85 C ATOM 2168 C GLU A 955 -7.699 28.065 -21.150 1.00 29.53 C ATOM 2169 O GLU A 955 -8.069 27.062 -20.536 1.00 28.15 O ATOM 2170 CB GLU A 955 -8.972 30.194 -20.661 1.00 30.30 C ATOM 2171 CG GLU A 955 -9.822 31.320 -21.231 1.00 44.97 C ATOM 2172 CD GLU A 955 -10.375 32.268 -20.189 1.00 72.03 C ATOM 2173 OE1 GLU A 955 -11.473 31.990 -19.651 1.00 59.26 O ATOM 2174 OE2 GLU A 955 -9.711 33.295 -19.918 1.00 73.27 O ATOM 2175 H GLU A 955 -10.722 28.307 -21.395 1.00 0.00 H ATOM 2176 N PHE A 956 -6.417 28.334 -21.424 1.00 23.48 N ATOM 2177 CA PHE A 956 -5.298 27.512 -20.968 1.00 22.58 C ATOM 2178 C PHE A 956 -4.304 28.353 -20.191 1.00 27.00 C ATOM 2179 O PHE A 956 -3.813 29.354 -20.722 1.00 26.44 O ATOM 2180 CB PHE A 956 -4.596 26.816 -22.141 1.00 23.31 C ATOM 2181 CG PHE A 956 -5.340 25.618 -22.676 1.00 24.01 C ATOM 2182 CD1 PHE A 956 -6.257 25.756 -23.716 1.00 25.15 C ATOM 2183 CD2 PHE A 956 -5.086 24.341 -22.180 1.00 23.44 C ATOM 2184 CE1 PHE A 956 -6.944 24.649 -24.211 1.00 24.80 C ATOM 2185 CE2 PHE A 956 -5.755 23.229 -22.697 1.00 25.35 C ATOM 2186 CZ PHE A 956 -6.669 23.390 -23.716 1.00 23.50 C ATOM 2187 H PHE A 956 -6.205 29.177 -21.995 1.00 0.00 H ATOM 2188 N PRO A 957 -3.980 27.968 -18.931 1.00 24.62 N ATOM 2189 CA PRO A 957 -2.950 28.717 -18.181 1.00 24.34 C ATOM 2190 C PRO A 957 -1.544 28.473 -18.756 1.00 26.05 C ATOM 2191 O PRO A 957 -1.311 27.450 -19.419 1.00 23.74 O ATOM 2192 CB PRO A 957 -3.091 28.172 -16.760 1.00 25.89 C ATOM 2193 CG PRO A 957 -3.570 26.782 -16.948 1.00 29.86 C ATOM 2194 CD PRO A 957 -4.479 26.811 -18.156 1.00 25.65 C ATOM 2195 N ALA A 958 -0.616 29.426 -18.518 1.00 23.47 N ATOM 2196 CA ALA A 958 0.787 29.417 -18.982 1.00 23.36 C ATOM 2197 C ALA A 958 1.527 28.060 -18.808 1.00 28.47 C ATOM 2198 O ALA A 958 2.210 27.614 -19.733 1.00 26.96 O ATOM 2199 CB ALA A 958 1.564 30.546 -18.313 1.00 23.91 C ATOM 2200 H ALA A 958 -0.919 30.245 -17.953 1.00 0.00 H ATOM 2201 N MET A 959 1.371 27.409 -17.630 1.00 27.67 N ATOM 2202 CA MET A 959 1.965 26.110 -17.324 1.00 28.61 C ATOM 2203 C MET A 959 1.517 25.059 -18.355 1.00 27.93 C ATOM 2204 O MET A 959 2.350 24.314 -18.859 1.00 27.69 O ATOM 2205 CB MET A 959 1.589 25.661 -15.894 1.00 32.66 C ATOM 2206 CG MET A 959 2.543 26.182 -14.811 1.00 38.61 C ATOM 2207 SD MET A 959 4.203 25.419 -14.809 1.00 45.13 S ATOM 2208 CE MET A 959 3.798 23.743 -14.329 1.00 41.65 C ATOM 2209 H MET A 959 0.791 27.864 -16.896 1.00 0.00 H ATOM 2210 N LEU A 960 0.218 25.044 -18.699 1.00 23.03 N ATOM 2211 CA LEU A 960 -0.336 24.103 -19.682 1.00 21.70 C ATOM 2212 C LEU A 960 0.082 24.414 -21.101 1.00 24.63 C ATOM 2213 O LEU A 960 0.329 23.481 -21.851 1.00 20.72 O ATOM 2214 CB LEU A 960 -1.867 23.961 -19.585 1.00 20.95 C ATOM 2215 CG LEU A 960 -2.466 23.371 -18.279 1.00 25.97 C ATOM 2216 CD1 LEU A 960 -3.887 22.850 -18.512 1.00 26.46 C ATOM 2217 CD2 LEU A 960 -1.582 22.300 -17.642 1.00 27.95 C ATOM 2218 H LEU A 960 -0.423 25.728 -18.250 1.00 0.00 H ATOM 2219 N VAL A 961 0.169 25.725 -21.468 1.00 22.96 N ATOM 2220 CA VAL A 961 0.571 26.148 -22.810 1.00 23.63 C ATOM 2221 C VAL A 961 1.942 25.572 -23.094 1.00 28.84 C ATOM 2222 O VAL A 961 2.134 24.934 -24.121 1.00 30.09 O ATOM 2223 CB VAL A 961 0.519 27.688 -23.018 1.00 27.46 C ATOM 2224 CG1 VAL A 961 1.111 28.084 -24.374 1.00 27.13 C ATOM 2225 CG2 VAL A 961 -0.905 28.215 -22.879 1.00 26.95 C ATOM 2226 H VAL A 961 -0.060 26.455 -20.764 1.00 0.00 H ATOM 2227 N GLU A 962 2.858 25.735 -22.142 1.00 24.85 N ATOM 2228 CA GLU A 962 4.214 25.270 -22.217 1.00 25.32 C ATOM 2229 C GLU A 962 4.268 23.747 -22.310 1.00 28.68 C ATOM 2230 O GLU A 962 4.889 23.220 -23.240 1.00 28.57 O ATOM 2231 CB GLU A 962 4.977 25.775 -20.997 1.00 27.31 C ATOM 2232 CG GLU A 962 6.481 25.626 -21.121 1.00 42.21 C ATOM 2233 CD GLU A 962 7.227 26.226 -19.950 1.00 62.13 C ATOM 2234 OE1 GLU A 962 7.287 27.475 -19.862 1.00 47.08 O ATOM 2235 OE2 GLU A 962 7.728 25.447 -19.106 1.00 58.03 O ATOM 2236 H GLU A 962 2.569 26.237 -21.278 1.00 0.00 H ATOM 2237 N ILE A 963 3.606 23.047 -21.373 1.00 23.34 N ATOM 2238 CA ILE A 963 3.604 21.584 -21.379 1.00 23.18 C ATOM 2239 C ILE A 963 3.047 21.033 -22.689 1.00 26.13 C ATOM 2240 O ILE A 963 3.742 20.254 -23.347 1.00 25.73 O ATOM 2241 CB ILE A 963 2.936 20.949 -20.133 1.00 25.68 C ATOM 2242 CG1 ILE A 963 3.758 21.252 -18.862 1.00 25.75 C ATOM 2243 CG2 ILE A 963 2.762 19.411 -20.326 1.00 26.09 C ATOM 2244 CD1 ILE A 963 2.939 21.221 -17.572 1.00 33.11 C ATOM 2245 H ILE A 963 3.085 23.555 -20.630 1.00 0.00 H ATOM 2246 N ILE A 964 1.833 21.471 -23.077 1.00 22.11 N ATOM 2247 CA ILE A 964 1.146 20.995 -24.276 1.00 22.56 C ATOM 2248 C ILE A 964 1.903 21.340 -25.580 1.00 25.70 C ATOM 2249 O ILE A 964 2.001 20.464 -26.437 1.00 24.86 O ATOM 2250 CB ILE A 964 -0.341 21.440 -24.318 1.00 25.00 C ATOM 2251 CG1 ILE A 964 -1.147 20.836 -23.117 1.00 25.17 C ATOM 2252 CG2 ILE A 964 -0.988 21.125 -25.669 1.00 22.54 C ATOM 2253 CD1 ILE A 964 -2.403 21.711 -22.707 1.00 20.17 C ATOM 2254 H ILE A 964 1.359 22.187 -22.491 1.00 0.00 H ATOM 2255 N SER A 965 2.444 22.572 -25.728 1.00 23.71 N ATOM 2256 CA SER A 965 3.180 22.974 -26.953 1.00 24.26 C ATOM 2257 C SER A 965 4.370 22.067 -27.230 1.00 29.05 C ATOM 2258 O SER A 965 4.742 21.869 -28.378 1.00 28.65 O ATOM 2259 CB SER A 965 3.679 24.415 -26.862 1.00 25.68 C ATOM 2260 OG SER A 965 2.595 25.315 -26.726 1.00 34.42 O ATOM 2261 HG SER A 965 2.090 25.099 -25.902 1.00 0.00 H ATOM 2262 H SER A 965 2.340 23.261 -24.956 1.00 0.00 H ATOM 2263 N ASP A 966 4.990 21.564 -26.172 1.00 27.97 N ATOM 2264 CA ASP A 966 6.128 20.679 -26.260 1.00 28.97 C ATOM 2265 C ASP A 966 5.698 19.218 -26.494 1.00 32.38 C ATOM 2266 O ASP A 966 6.270 18.534 -27.342 1.00 31.76 O ATOM 2267 CB ASP A 966 6.952 20.805 -24.974 1.00 32.30 C ATOM 2268 CG ASP A 966 8.385 20.395 -25.178 1.00 52.48 C ATOM 2269 OD1 ASP A 966 8.674 19.181 -25.074 1.00 52.07 O ATOM 2270 OD2 ASP A 966 9.214 21.280 -25.511 1.00 63.78 O ATOM 2271 H ASP A 966 4.638 21.820 -25.228 1.00 0.00 H ATOM 2272 N GLN A 967 4.671 18.766 -25.752 1.00 28.09 N ATOM 2273 CA GLN A 967 4.160 17.402 -25.728 1.00 27.85 C ATOM 2274 C GLN A 967 3.320 17.017 -26.944 1.00 32.40 C ATOM 2275 O GLN A 967 3.437 15.880 -27.403 1.00 31.37 O ATOM 2276 CB GLN A 967 3.387 17.179 -24.414 1.00 28.66 C ATOM 2277 CG GLN A 967 3.209 15.725 -23.987 1.00 40.72 C ATOM 2278 CD GLN A 967 1.857 15.547 -23.331 1.00 43.67 C ATOM 2279 OE1 GLN A 967 1.064 16.488 -23.233 1.00 41.88 O ATOM 2280 NE2 GLN A 967 1.570 14.356 -22.838 1.00 24.27 N ATOM 2281 HE22 GLN A 967 2.252 13.576 -22.931 1.00 0.00 H ATOM 2282 HE21 GLN A 967 0.662 14.198 -22.357 1.00 0.00 H ATOM 2283 H GLN A 967 4.196 19.457 -25.136 1.00 0.00 H ATOM 2284 N LEU A 968 2.474 17.944 -27.458 1.00 30.08 N ATOM 2285 CA LEU A 968 1.609 17.719 -28.617 1.00 29.99 C ATOM 2286 C LEU A 968 2.417 17.229 -29.849 1.00 35.01 C ATOM 2287 O LEU A 968 2.050 16.177 -30.381 1.00 34.05 O ATOM 2288 CB LEU A 968 0.731 18.954 -28.938 1.00 29.68 C ATOM 2289 CG LEU A 968 -0.486 18.762 -29.861 1.00 34.27 C ATOM 2290 CD1 LEU A 968 -1.498 19.866 -29.646 1.00 33.74 C ATOM 2291 CD2 LEU A 968 -0.092 18.723 -31.342 1.00 35.91 C ATOM 2292 H LEU A 968 2.437 18.876 -26.998 1.00 0.00 H ATOM 2293 N PRO A 969 3.515 17.910 -30.292 1.00 33.32 N ATOM 2294 CA PRO A 969 4.256 17.405 -31.463 1.00 33.36 C ATOM 2295 C PRO A 969 4.934 16.058 -31.223 1.00 37.40 C ATOM 2296 O PRO A 969 4.876 15.208 -32.098 1.00 36.04 O ATOM 2297 CB PRO A 969 5.272 18.515 -31.750 1.00 35.09 C ATOM 2298 CG PRO A 969 4.746 19.729 -31.032 1.00 38.96 C ATOM 2299 CD PRO A 969 4.103 19.180 -29.815 1.00 34.24 C ATOM 2300 N LYS A 970 5.540 15.860 -30.033 1.00 34.65 N ATOM 2301 CA LYS A 970 6.230 14.622 -29.647 1.00 34.05 C ATOM 2302 C LYS A 970 5.301 13.403 -29.581 1.00 36.11 C ATOM 2303 O LYS A 970 5.650 12.352 -30.124 1.00 36.52 O ATOM 2304 CB LYS A 970 7.008 14.814 -28.332 1.00 36.27 C ATOM 2305 CG LYS A 970 8.090 15.879 -28.431 1.00 41.53 C ATOM 2306 CD LYS A 970 8.942 15.956 -27.184 1.00 50.78 C ATOM 2307 CE LYS A 970 9.996 17.031 -27.309 1.00 59.77 C ATOM 2308 NZ LYS A 970 10.814 17.145 -26.073 1.00 69.40 N ATOM 2309 HZ1 LYS A 970 10.196 17.383 -25.271 1.00 0.00 H ATOM 2310 HZ2 LYS A 970 11.290 16.239 -25.889 1.00 0.00 H ATOM 2311 HZ3 LYS A 970 11.526 17.893 -26.198 1.00 0.00 H ATOM 2312 H LYS A 970 5.517 16.637 -29.342 1.00 0.00 H ATOM 2313 N VAL A 971 4.113 13.552 -28.958 1.00 31.02 N ATOM 2314 CA VAL A 971 3.105 12.494 -28.833 1.00 31.28 C ATOM 2315 C VAL A 971 2.498 12.157 -30.215 1.00 36.47 C ATOM 2316 O VAL A 971 2.368 10.974 -30.549 1.00 34.73 O ATOM 2317 CB VAL A 971 2.008 12.811 -27.758 1.00 34.78 C ATOM 2318 CG1 VAL A 971 0.846 11.811 -27.811 1.00 34.46 C ATOM 2319 CG2 VAL A 971 2.599 12.853 -26.350 1.00 34.18 C ATOM 2320 H VAL A 971 3.898 14.479 -28.539 1.00 0.00 H ATOM 2321 N GLU A 972 2.137 13.191 -31.006 1.00 33.75 N ATOM 2322 CA GLU A 972 1.537 12.991 -32.336 1.00 34.30 C ATOM 2323 C GLU A 972 2.538 12.433 -33.373 1.00 39.39 C ATOM 2324 O GLU A 972 2.126 11.696 -34.272 1.00 39.20 O ATOM 2325 CB GLU A 972 0.822 14.251 -32.846 1.00 35.11 C ATOM 2326 CG GLU A 972 -0.433 14.579 -32.046 1.00 39.92 C ATOM 2327 CD GLU A 972 -1.396 15.604 -32.623 1.00 52.68 C ATOM 2328 OE1 GLU A 972 -2.434 15.867 -31.972 1.00 39.03 O ATOM 2329 OE2 GLU A 972 -1.126 16.137 -33.724 1.00 42.05 O ATOM 2330 H GLU A 972 2.288 14.161 -30.664 1.00 0.00 H ATOM 2331 N SER A 973 3.841 12.716 -33.204 1.00 36.84 N ATOM 2332 CA SER A 973 4.900 12.191 -34.079 1.00 37.02 C ATOM 2333 C SER A 973 5.306 10.743 -33.722 1.00 41.57 C ATOM 2334 O SER A 973 6.114 10.141 -34.439 1.00 41.17 O ATOM 2335 CB SER A 973 6.129 13.092 -34.036 1.00 40.51 C ATOM 2336 OG SER A 973 6.709 13.089 -32.741 1.00 52.27 O ATOM 2337 HG SER A 973 6.047 13.419 -32.083 1.00 0.00 H ATOM 2338 H SER A 973 4.114 13.337 -32.416 1.00 0.00 H ATOM 2339 N GLY A 974 4.750 10.217 -32.627 1.00 38.25 N ATOM 2340 CA GLY A 974 5.025 8.874 -32.126 1.00 38.73 C ATOM 2341 C GLY A 974 6.335 8.759 -31.369 1.00 44.46 C ATOM 2342 O GLY A 974 6.882 7.655 -31.246 1.00 44.56 O ATOM 2343 H GLY A 974 4.076 10.804 -32.096 1.00 0.00 H ATOM 2344 N ASN A 975 6.855 9.896 -30.849 1.00 41.57 N ATOM 2345 CA ASN A 975 8.127 9.923 -30.122 1.00 42.43 C ATOM 2346 C ASN A 975 7.998 9.525 -28.632 1.00 46.72 C ATOM 2347 O ASN A 975 9.011 9.390 -27.953 1.00 47.94 O ATOM 2348 CB ASN A 975 8.849 11.265 -30.292 1.00 45.28 C ATOM 2349 CG ASN A 975 10.336 11.188 -30.023 1.00 84.79 C ATOM 2350 OD1 ASN A 975 10.831 11.665 -28.993 1.00 81.40 O ATOM 2351 ND2 ASN A 975 11.080 10.550 -30.925 1.00 81.91 N ATOM 2352 HD22 ASN A 975 10.638 10.159 -31.781 1.00 0.00 H ATOM 2353 HD21 ASN A 975 12.103 10.443 -30.773 1.00 0.00 H ATOM 2354 H ASN A 975 6.331 10.786 -30.970 1.00 0.00 H ATOM 2355 N ALA A 976 6.782 9.288 -28.143 1.00 41.92 N ATOM 2356 CA ALA A 976 6.579 8.857 -26.763 1.00 40.97 C ATOM 2357 C ALA A 976 6.617 7.330 -26.690 1.00 44.26 C ATOM 2358 O ALA A 976 6.079 6.645 -27.567 1.00 45.05 O ATOM 2359 CB ALA A 976 5.253 9.379 -26.226 1.00 41.31 C ATOM 2360 H ALA A 976 5.955 9.413 -28.761 1.00 0.00 H ATOM 2361 N LYS A 977 7.272 6.805 -25.659 1.00 38.18 N ATOM 2362 CA LYS A 977 7.352 5.369 -25.412 1.00 36.75 C ATOM 2363 C LYS A 977 6.697 5.036 -24.045 1.00 37.97 C ATOM 2364 O LYS A 977 7.344 5.169 -22.992 1.00 36.14 O ATOM 2365 CB LYS A 977 8.800 4.833 -25.537 1.00 38.83 C ATOM 2366 CG LYS A 977 8.938 3.317 -25.350 1.00 40.51 C ATOM 2367 CD LYS A 977 10.374 2.849 -25.571 1.00 51.99 C ATOM 2368 CE LYS A 977 10.522 1.360 -25.385 1.00 62.68 C ATOM 2369 NZ LYS A 977 11.807 0.855 -25.942 1.00 73.91 N ATOM 2370 HZ1 LYS A 977 11.847 1.062 -26.960 1.00 0.00 H ATOM 2371 HZ2 LYS A 977 12.600 1.324 -25.460 1.00 0.00 H ATOM 2372 HZ3 LYS A 977 11.868 -0.172 -25.793 1.00 0.00 H ATOM 2373 H LYS A 977 7.750 7.449 -24.997 1.00 0.00 H ATOM 2374 N PRO A 978 5.402 4.634 -24.052 1.00 33.86 N ATOM 2375 CA PRO A 978 4.757 4.215 -22.792 1.00 32.84 C ATOM 2376 C PRO A 978 5.348 2.890 -22.302 1.00 33.37 C ATOM 2377 O PRO A 978 5.588 1.975 -23.097 1.00 33.78 O ATOM 2378 CB PRO A 978 3.274 4.102 -23.162 1.00 34.68 C ATOM 2379 CG PRO A 978 3.267 3.817 -24.605 1.00 40.25 C ATOM 2380 CD PRO A 978 4.507 4.431 -25.211 1.00 35.79 C ATOM 2381 N LEU A 979 5.665 2.824 -21.010 1.00 27.44 N ATOM 2382 CA LEU A 979 6.287 1.656 -20.382 1.00 27.03 C ATOM 2383 C LEU A 979 5.222 0.831 -19.664 1.00 31.59 C ATOM 2384 O LEU A 979 4.550 1.307 -18.743 1.00 31.82 O ATOM 2385 CB LEU A 979 7.435 2.056 -19.418 1.00 26.44 C ATOM 2386 CG LEU A 979 8.518 3.021 -19.942 1.00 30.33 C ATOM 2387 CD1 LEU A 979 9.572 3.255 -18.892 1.00 28.86 C ATOM 2388 CD2 LEU A 979 9.171 2.509 -21.266 1.00 32.46 C ATOM 2389 H LEU A 979 5.459 3.650 -20.412 1.00 0.00 H ATOM 2390 N TYR A 980 5.038 -0.384 -20.141 1.00 28.03 N ATOM 2391 CA TYR A 980 4.054 -1.318 -19.623 1.00 27.41 C ATOM 2392 C TYR A 980 4.751 -2.391 -18.821 1.00 28.73 C ATOM 2393 O TYR A 980 5.795 -2.892 -19.222 1.00 27.73 O ATOM 2394 CB TYR A 980 3.276 -1.978 -20.785 1.00 29.23 C ATOM 2395 CG TYR A 980 2.296 -1.069 -21.488 1.00 33.27 C ATOM 2396 CD1 TYR A 980 2.704 -0.249 -22.538 1.00 36.00 C ATOM 2397 CD2 TYR A 980 0.950 -1.052 -21.130 1.00 35.03 C ATOM 2398 CE1 TYR A 980 1.800 0.587 -23.197 1.00 37.64 C ATOM 2399 CE2 TYR A 980 0.035 -0.224 -21.785 1.00 36.45 C ATOM 2400 CZ TYR A 980 0.464 0.587 -22.824 1.00 47.32 C ATOM 2401 OH TYR A 980 -0.432 1.397 -23.483 1.00 54.17 O ATOM 2402 HH TYR A 980 0.041 1.903 -24.190 1.00 0.00 H ATOM 2403 H TYR A 980 5.633 -0.692 -20.936 1.00 0.00 H ATOM 2404 N PHE A 981 4.156 -2.772 -17.706 1.00 25.25 N ATOM 2405 CA PHE A 981 4.634 -3.900 -16.919 1.00 24.87 C ATOM 2406 C PHE A 981 4.350 -5.182 -17.710 1.00 25.38 C ATOM 2407 O PHE A 981 5.165 -6.097 -17.715 1.00 25.65 O ATOM 2408 CB PHE A 981 3.883 -3.956 -15.571 1.00 26.53 C ATOM 2409 CG PHE A 981 4.299 -2.853 -14.645 1.00 28.36 C ATOM 2410 CD1 PHE A 981 5.479 -2.948 -13.911 1.00 32.23 C ATOM 2411 CD2 PHE A 981 3.533 -1.699 -14.527 1.00 31.22 C ATOM 2412 CE1 PHE A 981 5.877 -1.915 -13.061 1.00 32.93 C ATOM 2413 CE2 PHE A 981 3.932 -0.666 -13.676 1.00 34.39 C ATOM 2414 CZ PHE A 981 5.110 -0.777 -12.959 1.00 32.05 C ATOM 2415 H PHE A 981 3.318 -2.249 -17.379 1.00 0.00 H ATOM 2416 N HIS A 982 3.196 -5.214 -18.391 1.00 22.47 N ATOM 2417 CA HIS A 982 2.683 -6.357 -19.142 1.00 23.22 C ATOM 2418 C HIS A 982 2.233 -6.005 -20.546 1.00 32.18 C ATOM 2419 O HIS A 982 1.087 -5.593 -20.725 1.00 34.69 O ATOM 2420 CB HIS A 982 1.541 -7.043 -18.357 1.00 22.65 C ATOM 2421 CG HIS A 982 1.799 -7.101 -16.890 1.00 24.57 C ATOM 2422 ND1 HIS A 982 2.805 -7.893 -16.365 1.00 25.38 N ATOM 2423 CD2 HIS A 982 1.229 -6.390 -15.888 1.00 25.39 C ATOM 2424 CE1 HIS A 982 2.781 -7.682 -15.060 1.00 24.41 C ATOM 2425 NE2 HIS A 982 1.844 -6.782 -14.729 1.00 24.71 N ATOM 2426 H HIS A 982 2.616 -4.351 -18.384 1.00 0.00 H ATOM 2427 N ARG A 983 3.115 -6.195 -21.541 1.00 31.39 N ATOM 2428 CA ARG A 983 2.848 -5.931 -22.972 1.00 33.95 C ATOM 2429 C ARG A 983 1.510 -6.525 -23.472 1.00 39.45 C ATOM 2430 O ARG A 983 1.191 -7.695 -23.198 1.00 37.80 O ATOM 2431 CB ARG A 983 3.998 -6.456 -23.860 1.00 38.28 C ATOM 2432 CG ARG A 983 5.299 -5.679 -23.755 1.00 55.83 C ATOM 2433 CD ARG A 983 6.386 -6.382 -24.548 1.00 72.67 C ATOM 2434 NE ARG A 983 7.712 -5.808 -24.309 1.00 83.22 N ATOM 2435 CZ ARG A 983 8.279 -4.882 -25.074 1.00 99.09 C ATOM 2436 NH1 ARG A 983 9.488 -4.421 -24.781 1.00 91.95 N ATOM 2437 NH2 ARG A 983 7.642 -4.409 -26.140 1.00 81.78 N ATOM 2438 HE ARG A 983 8.246 -6.149 -23.484 1.00 0.00 H ATOM 2439 HH12 ARG A 983 9.928 -3.696 -25.383 1.00 0.00 H ATOM 2440 HH11 ARG A 983 9.996 -4.785 -23.949 1.00 0.00 H ATOM 2441 HH22 ARG A 983 8.091 -3.684 -26.735 1.00 0.00 H ATOM 2442 HH21 ARG A 983 6.694 -4.764 -26.379 1.00 0.00 H ATOM 2443 H ARG A 983 4.057 -6.555 -21.286 1.00 0.00 H ATOM 2444 N LYS A 984 0.735 -5.696 -24.204 1.00 37.75 N ATOM 2445 CA LYS A 984 -0.580 -6.037 -24.766 1.00 58.91 C ATOM 2446 C LYS A 984 -0.456 -6.977 -25.966 1.00 87.55 C ATOM 2447 O LYS A 984 0.291 -6.692 -26.900 1.00 55.02 O ATOM 2448 CB LYS A 984 -1.359 -4.762 -25.155 1.00 60.94 C ATOM 2449 CG LYS A 984 -1.933 -3.986 -23.970 1.00 70.73 C ATOM 2450 CD LYS A 984 -2.860 -2.846 -24.420 1.00 76.47 C ATOM 2451 CE LYS A 984 -2.211 -1.477 -24.436 1.00 77.66 C ATOM 2452 NZ LYS A 984 -1.220 -1.322 -25.537 1.00 78.78 N ATOM 2453 HZ1 LYS A 984 -0.467 -2.030 -25.426 1.00 0.00 H ATOM 2454 HZ2 LYS A 984 -1.695 -1.460 -26.452 1.00 0.00 H ATOM 2455 HZ3 LYS A 984 -0.808 -0.368 -25.499 1.00 0.00 H ATOM 2456 H LYS A 984 1.098 -4.738 -24.385 1.00 0.00 H TER 2457 LYS A 984 HETATM 2458 O HOH 1 14.542 14.613 -5.556 1.00 31.09 O HETATM 2459 O HOH 2 2.264 1.005 -16.859 1.00 27.48 O HETATM 2460 O HOH 3 -9.623 21.944 -22.387 1.00 40.95 O HETATM 2461 O HOH 4 1.095 14.767 3.013 1.00 37.13 O HETATM 2462 O HOH 5 19.183 6.669 -10.220 1.00 37.57 O HETATM 2463 O HOH 6 -28.457 17.979 -18.636 1.00 41.04 O HETATM 2464 O HOH 7 6.924 17.520 -23.930 1.00 40.77 O HETATM 2465 O HOH 8 3.467 9.846 -4.898 1.00 29.62 O HETATM 2466 O HOH 9 -3.825 27.879 -13.291 1.00 31.63 O HETATM 2467 O HOH 10 15.310 13.704 -21.972 1.00 30.71 O HETATM 2468 O HOH 11 3.200 8.519 -17.839 1.00 43.23 O HETATM 2469 O HOH 12 -1.140 -4.680 -19.523 1.00 43.41 O HETATM 2470 O HOH 13 -5.405 15.913 -10.181 1.00 21.17 O HETATM 2471 O HOH 14 3.598 11.471 -2.651 1.00 24.60 O HETATM 2472 O HOH 15 -15.057 28.229 -6.242 1.00 17.89 O HETATM 2473 O HOH 16 -14.411 1.579 0.023 1.00 34.79 O HETATM 2474 O HOH 17 9.668 2.186 2.610 1.00 48.83 O HETATM 2475 O HOH 18 -0.799 -7.640 -14.186 1.00 40.16 O HETATM 2476 O HOH 19 0.718 3.637 -17.144 1.00 35.68 O HETATM 2477 O HOH 20 -0.364 -0.778 2.010 1.00 27.13 O HETATM 2478 O HOH 21 0.656 6.387 -17.603 1.00 50.89 O HETATM 2479 O HOH 22 17.955 8.198 -8.499 1.00 44.12 O HETATM 2480 O HOH 23 -15.692 8.460 -9.152 1.00 50.70 O HETATM 2481 O HOH 24 6.855 9.597 -17.674 1.00 20.80 O HETATM 2482 O HOH 25 -6.591 -3.104 1.198 1.00 44.74 O HETATM 2483 O HOH 26 -6.341 15.461 -30.867 1.00 31.44 O HETATM 2484 O HOH 27 -6.399 -4.411 -11.615 1.00 36.33 O HETATM 2485 O HOH 28 -18.813 12.323 -24.618 1.00 52.76 O HETATM 2486 O HOH 29 0.553 11.708 -19.481 1.00 37.56 O HETATM 2487 O HOH 30 -0.714 7.105 -22.911 1.00 50.08 O HETATM 2488 O HOH 31 17.414 9.939 -16.067 1.00 27.94 O HETATM 2489 O HOH 32 3.615 20.128 -3.982 1.00 35.49 O HETATM 2490 O HOH 33 5.731 17.680 4.539 1.00 42.92 O HETATM 2491 O HOH 34 3.521 8.919 -29.119 1.00 37.88 O HETATM 2492 O HOH 35 -7.930 19.603 -6.098 1.00 27.33 O HETATM 2493 O HOH 36 8.609 23.121 -20.561 1.00 47.73 O HETATM 2494 O HOH 37 1.654 14.450 -7.108 1.00 40.98 O HETATM 2495 O HOH 38 -4.876 4.101 3.031 1.00 25.34 O HETATM 2496 O HOH 39 8.262 -2.119 -17.280 1.00 41.70 O HETATM 2497 O HOH 40 20.382 1.007 -14.240 1.00 35.57 O HETATM 2498 O HOH 41 -4.169 13.848 -31.126 1.00 38.84 O HETATM 2499 O HOH 42 2.624 11.778 -23.052 1.00 29.73 O HETATM 2500 O HOH 43 9.922 21.357 -3.457 1.00 36.54 O HETATM 2501 O HOH 44 -15.646 29.046 -13.260 1.00 32.30 O HETATM 2502 O HOH 45 0.006 7.340 -20.132 1.00 41.18 O HETATM 2503 O HOH 46 16.903 11.862 -3.288 1.00 45.35 O HETATM 2504 O HOH 47 -6.218 7.750 -28.092 1.00 34.32 O HETATM 2505 O HOH 48 -3.650 15.645 -0.490 1.00 38.25 O HETATM 2506 O HOH 49 -15.238 17.647 0.824 1.00 40.69 O HETATM 2507 O HOH 50 22.057 7.147 -21.099 1.00 44.85 O HETATM 2508 O HOH 51 10.905 8.439 5.940 1.00 31.57 O HETATM 2509 O HOH 52 0.302 28.737 -15.355 1.00 27.10 O HETATM 2510 O HOH 53 -4.090 -3.264 -17.968 1.00 37.63 O HETATM 2511 O HOH 54 -5.842 30.469 -23.244 1.00 35.85 O HETATM 2512 O HOH 55 -26.408 14.988 -12.144 1.00 39.36 O HETATM 2513 O HOH 56 5.270 18.573 -2.248 1.00 40.12 O HETATM 2514 O HOH 57 -17.208 19.519 -1.091 1.00 38.52 O HETATM 2515 O HOH 58 5.484 -7.501 -20.502 1.00 39.44 O HETATM 2516 O HOH 59 13.266 10.081 -28.865 1.00 39.56 O HETATM 2517 O HOH 60 -5.324 11.632 0.566 1.00 40.91 O HETATM 2518 O HOH 61 -10.767 11.305 -26.913 1.00 31.73 O HETATM 2519 O HOH 62 6.512 -1.338 -22.543 1.00 40.65 O HETATM 2520 O HOH 63 1.961 -3.047 -24.810 1.00 42.75 O HETATM 2521 O HOH 64 -0.846 15.100 -6.205 1.00 43.40 O HETATM 2522 O HOH 65 -7.416 -7.824 -11.304 1.00 53.32 O HETATM 2523 O HOH 66 -19.326 21.044 -7.137 1.00 36.12 O HETATM 2524 O HOH 67 -4.899 15.343 -4.754 1.00 29.15 O HETATM 2525 O HOH 68 11.586 14.293 -25.314 1.00 42.66 O HETATM 2526 O HOH 69 22.636 7.080 -16.465 1.00 34.15 O HETATM 2527 O HOH 70 2.013 16.511 4.906 1.00 34.59 O HETATM 2528 O HOH 71 -23.182 14.183 -23.609 1.00 42.83 O HETATM 2529 O HOH 72 -13.259 5.698 1.015 1.00 43.54 O HETATM 2530 O HOH 73 -21.466 10.563 -11.072 1.00 50.96 O HETATM 2531 O HOH 74 -25.398 8.154 -11.298 1.00 45.75 O HETATM 2532 O HOH 75 13.192 -0.120 -14.914 1.00 41.65 O HETATM 2533 O HOH 76 1.903 22.300 -3.091 1.00 46.04 O HETATM 2534 O HOH 77 -20.415 14.601 -23.349 1.00 41.83 O HETATM 2535 O HOH 78 -14.968 -3.466 -1.669 1.00 48.02 O HETATM 2536 O HOH 79 -1.092 27.744 -13.191 1.00 37.85 O HETATM 2537 O HOH 80 -16.182 12.419 -24.009 1.00 42.04 O HETATM 2538 O HOH 81 -7.185 14.893 -0.423 1.00 44.97 O HETATM 2539 O HOH 82 -4.694 9.823 2.738 1.00 42.72 O HETATM 2540 O HOH 83 -3.659 13.020 -1.147 1.00 37.67 O HETATM 2541 O HOH 84 -2.472 16.842 -7.676 1.00 34.54 O HETATM 2542 O HOH 85 1.856 9.457 -24.227 1.00 41.26 O HETATM 2543 O HOH 86 11.547 23.137 -20.449 1.00 51.74 O HETATM 2544 O HOH 87 15.614 19.950 -10.144 1.00 46.01 O HETATM 2545 C1 UNN A 88 -7.513 19.317 -12.911 1.00 -0.03 C HETATM 2546 C2 UNN A 88 -7.614 17.877 -13.178 1.00 0.02 C HETATM 2547 C16 UNN A 88 -7.474 17.225 -14.428 1.00 0.02 C HETATM 2548 C5 UNN A 88 -7.666 15.895 -14.118 1.00 0.18 C HETATM 2549 O4 UNN A 88 -7.897 15.776 -12.781 1.00 -0.17 O HETATM 2550 N3 UNN A 88 -7.867 17.031 -12.175 1.00 -0.17 N HETATM 2551 C6 UNN A 88 -7.697 14.607 -14.828 1.00 0.15 C HETATM 2552 O7 UNN A 88 -8.153 14.800 -16.165 1.00 -0.30 O HETATM 2553 C8 UNN A 88 -9.529 14.628 -16.328 1.00 0.13 C HETATM 2554 C9 UNN A 88 -10.252 15.766 -16.628 1.00 -0.04 C HETATM 2555 C10 UNN A 88 -11.604 15.713 -16.896 1.00 -0.08 C HETATM 2556 C11 UNN A 88 -12.252 14.497 -16.858 1.00 -0.04 C HETATM 2557 C12 UNN A 88 -11.536 13.355 -16.559 1.00 0.16 C HETATM 2558 C14 UNN A 88 -10.179 13.398 -16.312 1.00 0.19 C HETATM 2559 F15 UNN A 88 -9.565 12.224 -16.045 1.00 -0.19 F HETATM 2560 F13 UNN A 88 -12.160 12.171 -16.529 1.00 -0.19 F HETATM 2561 H6 UNN A 88 -13.315 14.438 -17.061 1.00 0.05 H HETATM 2562 H5 UNN A 88 -12.151 16.618 -17.134 1.00 0.05 H HETATM 2563 H4 UNN A 88 -9.745 16.724 -16.653 1.00 0.05 H HETATM 2564 H15 UNN A 88 -8.379 13.919 -14.306 1.00 0.09 H HETATM 2565 H16 UNN A 88 -6.685 14.176 -14.847 1.00 0.09 H HETATM 2566 C17 UNN A 88 -7.148 17.822 -15.711 1.00 -0.05 C HETATM 2567 C31 UNN A 88 -6.087 17.362 -16.484 1.00 -0.07 C HETATM 2568 C30 UNN A 88 -5.794 17.980 -17.686 1.00 -0.07 C HETATM 2569 C20 UNN A 88 -6.528 19.078 -18.101 1.00 -0.03 C HETATM 2570 C19 UNN A 88 -7.565 19.548 -17.315 1.00 -0.07 C HETATM 2571 C18 UNN A 88 -7.882 18.917 -16.131 1.00 -0.07 C HETATM 2572 H17 UNN A 88 -8.707 19.279 -15.528 1.00 0.05 H HETATM 2573 H7 UNN A 88 -8.131 20.417 -17.632 1.00 0.05 H HETATM 2574 C21 UNN A 88 -6.236 19.744 -19.402 1.00 0.06 C HETATM 2575 N22 UNN A 88 -7.480 19.977 -20.186 1.00 -0.24 N HETATM 2576 S23 UNN A 88 -8.058 18.779 -21.276 1.00 0.05 S HETATM 2577 O24 UNN A 88 -6.928 17.912 -21.540 1.00 -0.15 O HETATM 2578 O25 UNN A 88 -8.821 19.412 -22.332 1.00 -0.15 O HETATM 2579 C26 UNN A 88 -9.214 17.616 -20.508 1.00 0.10 C HETATM 2580 C27 UNN A 88 -9.333 16.322 -21.214 1.00 -0.04 C HETATM 2581 H10 UNN A 88 -10.051 15.680 -20.683 1.00 0.03 H HETATM 2582 H11 UNN A 88 -8.351 15.828 -21.242 1.00 0.03 H HETATM 2583 H12 UNN A 88 -9.686 16.496 -22.241 1.00 0.03 H HETATM 2584 C28 UNN A 88 -9.090 17.452 -19.045 1.00 -0.02 C HETATM 2585 C29 UNN A 88 -10.183 18.314 -19.605 1.00 -0.02 C HETATM 2586 H21 UNN A 88 -11.230 17.981 -19.555 1.00 0.03 H HETATM 2587 H22 UNN A 88 -10.140 19.407 -19.487 1.00 0.03 H HETATM 2588 H19 UNN A 88 -8.247 17.913 -18.510 1.00 0.03 H HETATM 2589 H20 UNN A 88 -9.337 16.487 -18.578 1.00 0.03 H HETATM 2590 H18 UNN A 88 -7.982 20.835 -20.078 1.00 0.17 H HETATM 2591 H8 UNN A 88 -5.559 19.104 -19.987 1.00 0.06 H HETATM 2592 H9 UNN A 88 -5.750 20.711 -19.207 1.00 0.06 H HETATM 2593 H13 UNN A 88 -4.987 17.604 -18.305 1.00 0.05 H HETATM 2594 H14 UNN A 88 -5.492 16.522 -16.145 1.00 0.05 H HETATM 2595 H1 UNN A 88 -7.671 19.503 -11.838 1.00 0.04 H HETATM 2596 H2 UNN A 88 -8.278 19.852 -13.492 1.00 0.04 H HETATM 2597 H3 UNN A 88 -6.514 19.675 -13.202 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1743 1744 1750 1751 1752 CONECT 1750 1743 CONECT 1751 1743 CONECT 1752 1743 CONECT 2545 2546 2595 2596 2597 CONECT 2546 2545 2547 2550 CONECT 2547 2546 2548 2566 CONECT 2548 2547 2549 2551 CONECT 2549 2548 2550 CONECT 2550 2546 2549 CONECT 2551 2548 2552 2564 2565 CONECT 2552 2551 2553 CONECT 2553 2552 2554 2558 CONECT 2554 2553 2555 2563 CONECT 2555 2554 2556 2562 CONECT 2556 2555 2557 2561 CONECT 2557 2556 2558 2560 CONECT 2558 2553 2557 2559 CONECT 2559 2558 CONECT 2560 2557 CONECT 2561 2556 CONECT 2562 2555 CONECT 2563 2554 CONECT 2564 2551 CONECT 2565 2551 CONECT 2566 2547 2567 2571 CONECT 2567 2566 2568 2594 CONECT 2568 2567 2569 2593 CONECT 2569 2568 2570 2574 CONECT 2570 2569 2571 2573 CONECT 2571 2566 2570 2572 CONECT 2572 2571 CONECT 2573 2570 CONECT 2574 2569 2575 2591 2592 CONECT 2575 2574 2576 2590 CONECT 2576 2575 2577 2578 2579 CONECT 2577 2576 CONECT 2578 2576 CONECT 2579 2576 2580 2584 2585 CONECT 2580 2579 2581 2582 2583 CONECT 2581 2580 CONECT 2582 2580 CONECT 2583 2580 CONECT 2584 2579 2585 2588 2589 CONECT 2585 2579 2584 2586 2587 CONECT 2586 2585 CONECT 2587 2585 CONECT 2588 2584 CONECT 2589 2584 CONECT 2590 2575 CONECT 2591 2574 CONECT 2592 2574 CONECT 2593 2568 CONECT 2594 2567 CONECT 2595 2545 CONECT 2596 2545 CONECT 2597 2545 MASTER 0 0 0 0 0 0 0 0 2595 2 61 20 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5l7g
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Mineralocorticoid receptor (MCR)
Ligand Name
6QE
EC.Number
E.C.-.-.-.-
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Ki=16nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ChemMedChem Vol. 12: pp. 50-65
Ligand Properties
Formula
C
2
2
H
2
2
F
2
N
2
O
4
S
Molecular Weight
448.483
Exact Mass
448.127
No. of atoms
53
No. of bonds
56
Polar Surface Area
89.81
LOGP Value
3.74 (
Computed with XLOGP3
)
5.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Cc1noc(c1c1ccc(cc1)CNS(=O)(=O)C1(C)CC1)COc1cccc(c1F)F
InChI String
InChI=1S/C22H22F2N2O4S/c1-14-20(19(30-26-14)13-29-18-5-3-4-17(23)21(18)24)16-8-6-15(7-9-16)12-25-31(27,28)22(2)10-11-22/h3-9,25H,10-13H2,1-2H3
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
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
4306
8648
ASD
Information of known allosteric effects of PDB entries
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