Browse entries in the PDBbind-CN Database
HEADER 5II1_COMPLEX COMPND 5II1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 SER LYS TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU SEQRES 2 A 112 VAL TYR GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY SEQRES 3 A 112 ARG ARG LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SEQRES 4 A 112 SER GLU LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO SEQRES 5 A 112 MET ASP MET GLU LYS ILE ARG SER HIS MET MET ALA ASN SEQRES 6 A 112 LYS TYR GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL SEQRES 7 A 112 MET MET PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SEQRES 8 A 112 SER LEU ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL SEQRES 9 A 112 LEU LEU GLU THR ARG ARG ASP LEU HET UNN A 163 23 ATOM 1 N SER A 652 18.830 2.717 20.272 1.00 62.03 N ATOM 2 CA SER A 652 20.126 3.469 20.137 1.00 59.60 C ATOM 3 C SER A 652 21.238 2.862 20.978 1.00 57.87 C ATOM 4 O SER A 652 21.108 2.725 22.192 1.00 74.24 O ATOM 5 CB SER A 652 19.976 4.944 20.521 1.00 74.84 C ATOM 6 OG SER A 652 18.883 5.538 19.852 1.00 79.01 O ATOM 7 HG SER A 652 18.811 6.489 20.119 1.00 0.00 H ATOM 8 HN3 SER A 652 18.525 2.730 21.266 1.00 0.00 H ATOM 9 HN2 SER A 652 18.967 1.734 19.963 1.00 0.00 H ATOM 10 HN1 SER A 652 18.105 3.170 19.680 1.00 0.00 H ATOM 11 N LYS A 653 22.338 2.527 20.319 1.00 61.47 N ATOM 12 CA LYS A 653 23.497 1.936 20.963 1.00 45.96 C ATOM 13 C LYS A 653 24.468 3.037 21.458 1.00 41.28 C ATOM 14 O LYS A 653 24.565 4.132 20.892 1.00 44.73 O ATOM 15 CB LYS A 653 24.215 0.948 20.004 1.00 47.76 C ATOM 16 CG LYS A 653 23.326 0.028 19.150 1.00 61.00 C ATOM 17 H LYS A 653 22.372 2.695 19.293 1.00 0.00 H ATOM 18 N TYR A 654 25.163 2.744 22.544 1.00 41.05 N ATOM 19 CA TYR A 654 26.385 3.492 22.909 1.00 45.50 C ATOM 20 C TYR A 654 27.471 3.291 21.855 1.00 47.17 C ATOM 21 O TYR A 654 27.579 2.207 21.279 1.00 64.47 O ATOM 22 CB TYR A 654 26.914 3.020 24.274 1.00 45.40 C ATOM 23 CG TYR A 654 26.094 3.406 25.490 1.00 43.98 C ATOM 24 CD1 TYR A 654 24.995 4.287 25.423 1.00 46.96 C ATOM 25 CD2 TYR A 654 26.459 2.914 26.728 1.00 43.32 C ATOM 26 CE1 TYR A 654 24.278 4.620 26.564 1.00 53.74 C ATOM 27 CE2 TYR A 654 25.748 3.242 27.884 1.00 51.81 C ATOM 28 CZ TYR A 654 24.655 4.087 27.797 1.00 52.61 C ATOM 29 OH TYR A 654 23.932 4.432 28.924 1.00 42.44 O ATOM 30 HH TYR A 654 23.560 3.614 29.339 1.00 0.00 H ATOM 31 H TYR A 654 24.842 1.968 23.157 1.00 0.00 H ATOM 32 N MET A 655 28.262 4.332 21.616 1.00 50.01 N ATOM 33 CA MET A 655 29.365 4.303 20.646 1.00 41.55 C ATOM 34 C MET A 655 30.366 3.227 21.023 1.00 42.32 C ATOM 35 O MET A 655 30.709 3.068 22.200 1.00 49.30 O ATOM 36 CB MET A 655 30.100 5.651 20.625 1.00 39.42 C ATOM 37 CG MET A 655 29.340 6.813 19.985 1.00 41.01 C ATOM 38 SD MET A 655 30.257 8.369 19.947 1.00 50.53 S ATOM 39 CE MET A 655 30.579 8.640 21.699 1.00 77.46 C ATOM 40 H MET A 655 28.091 5.212 22.143 1.00 0.00 H ATOM 41 N THR A 656 30.834 2.487 20.035 1.00 35.50 N ATOM 42 CA THR A 656 31.838 1.415 20.258 1.00 30.90 C ATOM 43 C THR A 656 33.162 2.029 20.727 1.00 39.37 C ATOM 44 O THR A 656 33.366 3.254 20.571 1.00 39.46 O ATOM 45 CB THR A 656 32.109 0.660 18.948 1.00 41.44 C ATOM 46 OG1 THR A 656 32.665 1.570 18.005 1.00 35.10 O ATOM 47 CG2 THR A 656 30.828 0.048 18.351 1.00 44.68 C ATOM 48 HG1 THR A 656 32.025 2.308 17.843 1.00 0.00 H ATOM 49 H THR A 656 30.489 2.660 19.069 1.00 0.00 H ATOM 50 N PRO A 657 34.088 1.202 21.263 1.00 49.29 N ATOM 51 CA PRO A 657 35.454 1.664 21.542 1.00 50.53 C ATOM 52 C PRO A 657 36.154 2.369 20.380 1.00 47.01 C ATOM 53 O PRO A 657 36.746 3.431 20.595 1.00 37.14 O ATOM 54 CB PRO A 657 36.184 0.376 21.910 1.00 51.16 C ATOM 55 CG PRO A 657 35.118 -0.409 22.623 1.00 47.58 C ATOM 56 CD PRO A 657 33.886 -0.169 21.774 1.00 55.15 C ATOM 57 N MET A 658 36.017 1.846 19.166 1.00 39.55 N ATOM 58 CA MET A 658 36.599 2.524 18.026 1.00 49.77 C ATOM 59 C MET A 658 35.903 3.875 17.742 1.00 45.58 C ATOM 60 O MET A 658 36.588 4.866 17.521 1.00 32.94 O ATOM 61 CB MET A 658 36.596 1.676 16.772 1.00 50.20 C ATOM 62 CG MET A 658 37.486 2.375 15.717 1.00 41.71 C ATOM 63 SD MET A 658 37.813 1.324 14.336 1.00 74.03 S ATOM 64 CE MET A 658 39.012 0.244 15.146 1.00 69.46 C ATOM 65 H MET A 658 35.495 0.956 19.035 1.00 0.00 H ATOM 66 N GLN A 659 34.569 3.924 17.746 1.00 34.20 N ATOM 67 CA GLN A 659 33.879 5.218 17.630 1.00 39.68 C ATOM 68 C GLN A 659 34.318 6.237 18.659 1.00 38.60 C ATOM 69 O GLN A 659 34.382 7.402 18.354 1.00 32.86 O ATOM 70 CB GLN A 659 32.377 5.064 17.673 1.00 35.77 C ATOM 71 CG GLN A 659 31.833 4.511 16.356 1.00 42.22 C ATOM 72 CD GLN A 659 30.348 4.246 16.528 1.00 42.68 C ATOM 73 OE1 GLN A 659 29.979 3.499 17.412 1.00 45.44 O ATOM 74 NE2 GLN A 659 29.502 4.892 15.737 1.00 34.70 N ATOM 75 HE22 GLN A 659 29.864 5.522 14.993 1.00 0.00 H ATOM 76 HE21 GLN A 659 28.477 4.769 15.861 1.00 0.00 H ATOM 77 H GLN A 659 34.017 3.047 17.831 1.00 0.00 H ATOM 78 N GLN A 660 34.577 5.811 19.884 1.00 37.05 N ATOM 79 CA GLN A 660 35.119 6.705 20.919 1.00 32.31 C ATOM 80 C GLN A 660 36.485 7.298 20.584 1.00 33.63 C ATOM 81 O GLN A 660 36.695 8.521 20.709 1.00 37.82 O ATOM 82 CB GLN A 660 35.035 5.995 22.304 1.00 44.39 C ATOM 83 CG GLN A 660 33.545 5.922 22.647 1.00 49.74 C ATOM 84 CD GLN A 660 33.185 5.364 23.974 1.00 62.15 C ATOM 85 OE1 GLN A 660 32.251 5.864 24.599 1.00 69.93 O ATOM 86 NE2 GLN A 660 33.844 4.264 24.389 1.00 50.92 N ATOM 87 HE22 GLN A 660 34.628 3.882 23.822 1.00 0.00 H ATOM 88 HE21 GLN A 660 33.569 3.797 25.277 1.00 0.00 H ATOM 89 H GLN A 660 34.392 4.816 20.122 1.00 0.00 H ATOM 90 N LYS A 661 37.386 6.466 20.051 1.00 37.89 N ATOM 91 CA LYS A 661 38.703 6.954 19.584 1.00 45.70 C ATOM 92 C LYS A 661 38.572 7.873 18.350 1.00 38.49 C ATOM 93 O LYS A 661 39.265 8.885 18.229 1.00 45.78 O ATOM 94 CB LYS A 661 39.647 5.792 19.252 1.00 43.67 C ATOM 95 CG LYS A 661 40.175 5.073 20.468 1.00 39.61 C ATOM 96 H LYS A 661 37.157 5.455 19.963 1.00 0.00 H ATOM 97 N LEU A 662 37.685 7.496 17.449 1.00 31.75 N ATOM 98 CA LEU A 662 37.357 8.303 16.274 1.00 36.57 C ATOM 99 C LEU A 662 36.813 9.639 16.743 1.00 31.38 C ATOM 100 O LEU A 662 37.209 10.689 16.213 1.00 36.87 O ATOM 101 CB LEU A 662 36.334 7.601 15.392 1.00 27.19 C ATOM 102 CG LEU A 662 36.837 6.439 14.545 1.00 26.46 C ATOM 103 CD1 LEU A 662 35.650 5.640 14.045 1.00 35.28 C ATOM 104 CD2 LEU A 662 37.644 6.924 13.335 1.00 26.39 C ATOM 105 H LEU A 662 37.198 6.586 17.580 1.00 0.00 H ATOM 106 N ASN A 663 35.923 9.614 17.727 1.00 38.62 N ATOM 107 CA ASN A 663 35.313 10.837 18.220 1.00 35.67 C ATOM 108 C ASN A 663 36.314 11.788 18.860 1.00 39.75 C ATOM 109 O ASN A 663 36.153 13.007 18.765 1.00 30.62 O ATOM 110 CB ASN A 663 34.125 10.577 19.136 1.00 36.27 C ATOM 111 CG ASN A 663 33.347 11.851 19.436 1.00 35.77 C ATOM 112 OD1 ASN A 663 32.869 12.501 18.535 1.00 40.05 O ATOM 113 ND2 ASN A 663 33.347 12.275 20.680 1.00 42.99 N ATOM 114 HD22 ASN A 663 33.767 11.689 21.429 1.00 0.00 H ATOM 115 HD21 ASN A 663 32.927 13.197 20.915 1.00 0.00 H ATOM 116 H ASN A 663 35.658 8.703 18.153 1.00 0.00 H ATOM 117 N GLU A 664 37.318 11.223 19.523 1.00 37.47 N ATOM 118 CA GLU A 664 38.381 12.013 20.110 1.00 35.41 C ATOM 119 C GLU A 664 39.213 12.755 19.052 1.00 35.40 C ATOM 120 O GLU A 664 39.576 13.916 19.230 1.00 30.44 O ATOM 121 CB GLU A 664 39.330 11.097 20.865 1.00 42.86 C ATOM 122 CG GLU A 664 39.083 10.896 22.325 1.00 57.63 C ATOM 123 CD GLU A 664 40.153 9.931 22.876 1.00 69.56 C ATOM 124 OE1 GLU A 664 41.291 10.371 23.155 1.00 66.33 O ATOM 125 OE2 GLU A 664 39.900 8.712 22.972 1.00 65.94 O ATOM 126 H GLU A 664 37.341 10.188 19.623 1.00 0.00 H ATOM 127 N VAL A 665 39.532 12.069 17.952 1.00 32.83 N ATOM 128 CA VAL A 665 40.205 12.729 16.826 1.00 31.04 C ATOM 129 C VAL A 665 39.301 13.816 16.247 1.00 29.53 C ATOM 130 O VAL A 665 39.729 14.915 16.015 1.00 26.82 O ATOM 131 CB VAL A 665 40.555 11.718 15.724 1.00 33.54 C ATOM 132 CG1 VAL A 665 41.052 12.400 14.455 1.00 35.63 C ATOM 133 CG2 VAL A 665 41.579 10.701 16.240 1.00 43.47 C ATOM 134 H VAL A 665 39.301 11.057 17.892 1.00 0.00 H ATOM 135 N TYR A 666 38.064 13.465 15.957 1.00 29.81 N ATOM 136 CA TYR A 666 37.135 14.410 15.363 1.00 24.17 C ATOM 137 C TYR A 666 37.029 15.691 16.217 1.00 27.29 C ATOM 138 O TYR A 666 37.109 16.782 15.690 1.00 25.63 O ATOM 139 CB TYR A 666 35.769 13.762 15.187 1.00 23.64 C ATOM 140 CG TYR A 666 34.789 14.679 14.516 1.00 26.95 C ATOM 141 CD1 TYR A 666 34.709 14.749 13.105 1.00 25.87 C ATOM 142 CD2 TYR A 666 33.959 15.487 15.262 1.00 25.95 C ATOM 143 CE1 TYR A 666 33.825 15.589 12.503 1.00 28.72 C ATOM 144 CE2 TYR A 666 33.044 16.331 14.654 1.00 29.35 C ATOM 145 CZ TYR A 666 33.013 16.404 13.274 1.00 29.78 C ATOM 146 OH TYR A 666 32.159 17.261 12.659 1.00 27.55 O ATOM 147 HH TYR A 666 31.228 17.033 12.908 1.00 0.00 H ATOM 148 H TYR A 666 37.748 12.495 16.157 1.00 0.00 H ATOM 149 N GLU A 667 36.790 15.528 17.517 1.00 30.83 N ATOM 150 CA GLU A 667 36.565 16.647 18.463 1.00 31.92 C ATOM 151 C GLU A 667 37.809 17.530 18.611 1.00 34.32 C ATOM 152 O GLU A 667 37.685 18.708 18.825 1.00 24.76 O ATOM 153 CB GLU A 667 36.202 16.135 19.899 1.00 37.01 C ATOM 154 CG GLU A 667 34.804 15.580 20.184 1.00 42.24 C ATOM 155 CD GLU A 667 34.603 15.245 21.671 1.00 47.60 C ATOM 156 OE1 GLU A 667 33.505 14.740 22.008 1.00 42.67 O ATOM 157 OE2 GLU A 667 35.533 15.470 22.505 1.00 48.43 O ATOM 158 H GLU A 667 36.759 14.558 17.891 1.00 0.00 H ATOM 159 N ALA A 668 38.995 16.925 18.539 1.00 25.82 N ATOM 160 CA ALA A 668 40.243 17.663 18.671 1.00 31.21 C ATOM 161 C ALA A 668 40.359 18.650 17.536 1.00 30.65 C ATOM 162 O ALA A 668 40.734 19.815 17.746 1.00 37.00 O ATOM 163 CB ALA A 668 41.455 16.721 18.671 1.00 32.46 C ATOM 164 H ALA A 668 39.030 15.897 18.384 1.00 0.00 H ATOM 165 N VAL A 669 40.044 18.198 16.326 1.00 25.93 N ATOM 166 CA VAL A 669 40.068 19.066 15.153 1.00 25.52 C ATOM 167 C VAL A 669 38.955 20.123 15.228 1.00 25.51 C ATOM 168 O VAL A 669 39.185 21.311 15.022 1.00 26.32 O ATOM 169 CB VAL A 669 39.913 18.268 13.850 1.00 21.71 C ATOM 170 CG1 VAL A 669 39.813 19.179 12.634 1.00 21.91 C ATOM 171 CG2 VAL A 669 41.077 17.225 13.673 1.00 26.77 C ATOM 172 H VAL A 669 39.774 17.200 16.212 1.00 0.00 H ATOM 173 N LYS A 670 37.748 19.671 15.518 1.00 27.88 N ATOM 174 CA LYS A 670 36.592 20.553 15.644 1.00 24.67 C ATOM 175 C LYS A 670 36.782 21.669 16.686 1.00 30.95 C ATOM 176 O LYS A 670 36.398 22.816 16.437 1.00 24.36 O ATOM 177 CB LYS A 670 35.352 19.739 15.967 1.00 30.68 C ATOM 178 CG LYS A 670 34.133 20.636 16.186 1.00 42.07 C ATOM 179 CD LYS A 670 32.840 19.864 16.193 1.00 49.22 C ATOM 180 CE LYS A 670 31.718 20.637 16.866 1.00 76.19 C ATOM 181 NZ LYS A 670 31.265 21.703 15.911 1.00 77.15 N ATOM 182 HZ1 LYS A 670 32.062 22.335 15.695 1.00 0.00 H ATOM 183 HZ2 LYS A 670 30.925 21.259 15.034 1.00 0.00 H ATOM 184 HZ3 LYS A 670 30.495 22.251 16.345 1.00 0.00 H ATOM 185 H LYS A 670 37.617 18.649 15.662 1.00 0.00 H ATOM 186 N ASN A 671 37.315 21.303 17.855 1.00 26.32 N ATOM 187 CA ASN A 671 37.343 22.206 19.018 1.00 25.07 C ATOM 188 C ASN A 671 38.590 23.029 19.090 1.00 24.44 C ATOM 189 O ASN A 671 38.661 23.931 19.878 1.00 27.44 O ATOM 190 CB ASN A 671 37.169 21.420 20.328 1.00 24.15 C ATOM 191 CG ASN A 671 35.787 20.740 20.412 1.00 32.82 C ATOM 192 OD1 ASN A 671 34.828 21.193 19.823 1.00 33.70 O ATOM 193 ND2 ASN A 671 35.716 19.647 21.112 1.00 35.46 N ATOM 194 HD22 ASN A 671 36.559 19.289 21.604 1.00 0.00 H ATOM 195 HD21 ASN A 671 34.816 19.131 21.180 1.00 0.00 H ATOM 196 H ASN A 671 37.723 20.351 17.947 1.00 0.00 H ATOM 197 N TYR A 672 39.580 22.726 18.262 1.00 27.02 N ATOM 198 CA TYR A 672 40.845 23.469 18.309 1.00 28.86 C ATOM 199 C TYR A 672 40.573 24.986 18.166 1.00 26.71 C ATOM 200 O TYR A 672 39.839 25.437 17.249 1.00 27.56 O ATOM 201 CB TYR A 672 41.814 22.979 17.223 1.00 26.30 C ATOM 202 CG TYR A 672 43.085 23.765 17.250 1.00 33.95 C ATOM 203 CD1 TYR A 672 44.092 23.481 18.200 1.00 29.81 C ATOM 204 CD2 TYR A 672 43.272 24.833 16.389 1.00 32.27 C ATOM 205 CE1 TYR A 672 45.241 24.258 18.285 1.00 31.80 C ATOM 206 CE2 TYR A 672 44.443 25.595 16.445 1.00 30.45 C ATOM 207 CZ TYR A 672 45.416 25.294 17.390 1.00 36.97 C ATOM 208 OH TYR A 672 46.527 26.067 17.420 1.00 32.83 O ATOM 209 HH TYR A 672 46.270 27.006 17.602 1.00 0.00 H ATOM 210 H TYR A 672 39.459 21.956 17.574 1.00 0.00 H ATOM 211 N THR A 673 41.151 25.751 19.074 1.00 25.54 N ATOM 212 CA THR A 673 41.137 27.205 18.954 1.00 33.13 C ATOM 213 C THR A 673 42.559 27.735 19.030 1.00 33.43 C ATOM 214 O THR A 673 43.394 27.172 19.708 1.00 29.11 O ATOM 215 CB THR A 673 40.279 27.855 20.045 1.00 22.91 C ATOM 216 OG1 THR A 673 40.795 27.455 21.304 1.00 30.61 O ATOM 217 CG2 THR A 673 38.858 27.412 19.948 1.00 27.02 C ATOM 218 HG1 THR A 673 41.735 27.754 21.384 1.00 0.00 H ATOM 219 H THR A 673 41.624 25.310 19.888 1.00 0.00 H ATOM 220 N ASP A 674 42.847 28.762 18.240 1.00 31.68 N ATOM 221 CA ASP A 674 44.159 29.421 18.266 1.00 28.89 C ATOM 222 C ASP A 674 44.244 30.318 19.520 1.00 31.28 C ATOM 223 O ASP A 674 43.293 30.381 20.328 1.00 30.57 O ATOM 224 CB ASP A 674 44.426 30.179 16.963 1.00 30.17 C ATOM 225 CG ASP A 674 43.532 31.418 16.777 1.00 28.13 C ATOM 226 OD1 ASP A 674 42.815 31.827 17.695 1.00 28.38 O ATOM 227 OD2 ASP A 674 43.533 31.969 15.676 1.00 28.31 O ATOM 228 H ASP A 674 42.121 29.111 17.582 1.00 0.00 H ATOM 229 N LYS A 675 45.356 31.032 19.661 1.00 29.74 N ATOM 230 CA LYS A 675 45.613 31.872 20.837 1.00 41.58 C ATOM 231 C LYS A 675 44.611 33.021 21.004 1.00 37.31 C ATOM 232 O LYS A 675 44.418 33.476 22.077 1.00 38.33 O ATOM 233 CB LYS A 675 47.058 32.376 20.833 1.00 36.45 C ATOM 234 CG LYS A 675 47.459 33.371 19.751 1.00 46.26 C ATOM 235 CD LYS A 675 48.962 33.640 19.828 1.00 45.34 C ATOM 236 H LYS A 675 46.073 30.994 18.908 1.00 0.00 H ATOM 237 N ARG A 676 43.932 33.430 19.942 1.00 32.33 N ATOM 238 CA ARG A 676 42.883 34.440 19.999 1.00 31.64 C ATOM 239 C ARG A 676 41.463 33.912 20.272 1.00 33.68 C ATOM 240 O ARG A 676 40.481 34.668 20.197 1.00 34.46 O ATOM 241 CB ARG A 676 42.902 35.200 18.669 1.00 28.73 C ATOM 242 CG ARG A 676 44.144 36.057 18.454 1.00 33.84 C ATOM 243 CD ARG A 676 44.200 36.633 17.040 1.00 38.35 C ATOM 244 NE ARG A 676 42.901 37.149 16.571 1.00 44.35 N ATOM 245 CZ ARG A 676 42.418 38.368 16.812 1.00 39.96 C ATOM 246 NH1 ARG A 676 43.101 39.279 17.510 1.00 59.11 N ATOM 247 NH2 ARG A 676 41.224 38.696 16.333 1.00 42.24 N ATOM 248 HE ARG A 676 42.311 36.507 16.004 1.00 0.00 H ATOM 249 HH12 ARG A 676 42.691 40.220 17.678 1.00 0.00 H ATOM 250 HH11 ARG A 676 44.043 39.047 17.886 1.00 0.00 H ATOM 251 HH22 ARG A 676 40.834 39.643 16.513 1.00 0.00 H ATOM 252 HH21 ARG A 676 40.679 38.006 15.778 1.00 0.00 H ATOM 253 H ARG A 676 44.160 33.008 19.019 1.00 0.00 H ATOM 254 N GLY A 677 41.341 32.607 20.495 1.00 35.07 N ATOM 255 CA GLY A 677 40.047 31.953 20.578 1.00 33.36 C ATOM 256 C GLY A 677 39.316 31.690 19.268 1.00 40.67 C ATOM 257 O GLY A 677 38.122 31.444 19.290 1.00 34.73 O ATOM 258 H GLY A 677 42.201 32.035 20.614 1.00 0.00 H ATOM 259 N ARG A 678 39.985 31.765 18.116 1.00 32.88 N ATOM 260 CA ARG A 678 39.289 31.521 16.866 1.00 27.12 C ATOM 261 C ARG A 678 39.265 29.982 16.647 1.00 31.16 C ATOM 262 O ARG A 678 40.289 29.305 16.742 1.00 28.20 O ATOM 263 CB ARG A 678 39.916 32.274 15.702 1.00 23.82 C ATOM 264 CG ARG A 678 39.081 32.193 14.422 1.00 31.84 C ATOM 265 CD ARG A 678 39.545 33.193 13.381 1.00 28.89 C ATOM 266 NE ARG A 678 40.920 32.889 12.950 1.00 32.85 N ATOM 267 CZ ARG A 678 41.268 32.045 11.974 1.00 31.44 C ATOM 268 NH1 ARG A 678 42.555 31.866 11.673 1.00 33.85 N ATOM 269 NH2 ARG A 678 40.370 31.379 11.280 1.00 36.85 N ATOM 270 HE ARG A 678 41.691 33.376 13.451 1.00 0.00 H ATOM 271 HH12 ARG A 678 42.825 31.209 10.913 1.00 0.00 H ATOM 272 HH11 ARG A 678 43.289 32.383 12.198 1.00 0.00 H ATOM 273 HH22 ARG A 678 40.672 30.729 10.526 1.00 0.00 H ATOM 274 HH21 ARG A 678 39.358 31.502 11.485 1.00 0.00 H ATOM 275 H ARG A 678 40.999 31.997 18.114 1.00 0.00 H ATOM 276 N ARG A 679 38.077 29.463 16.347 1.00 26.80 N ATOM 277 CA ARG A 679 37.858 28.048 16.059 1.00 25.84 C ATOM 278 C ARG A 679 38.095 27.826 14.590 1.00 29.59 C ATOM 279 O ARG A 679 37.232 28.146 13.754 1.00 29.16 O ATOM 280 CB ARG A 679 36.414 27.636 16.446 1.00 37.67 C ATOM 281 CG ARG A 679 36.331 26.335 17.196 1.00 42.47 C ATOM 282 CD ARG A 679 34.886 25.910 17.419 1.00 47.69 C ATOM 283 NE ARG A 679 34.800 25.257 18.721 1.00 60.95 N ATOM 284 CZ ARG A 679 33.941 24.291 19.056 1.00 97.21 C ATOM 285 NH1 ARG A 679 33.023 23.827 18.201 1.00 81.96 N ATOM 286 NH2 ARG A 679 34.001 23.776 20.283 1.00 88.39 N ATOM 287 HE ARG A 679 35.467 25.572 19.454 1.00 0.00 H ATOM 288 HH12 ARG A 679 32.370 23.073 18.497 1.00 0.00 H ATOM 289 HH11 ARG A 679 32.962 24.220 17.240 1.00 0.00 H ATOM 290 HH22 ARG A 679 33.341 23.023 20.564 1.00 0.00 H ATOM 291 HH21 ARG A 679 34.708 24.127 20.960 1.00 0.00 H ATOM 292 H ARG A 679 37.257 30.102 16.316 1.00 0.00 H ATOM 293 N LEU A 680 39.256 27.286 14.252 1.00 27.48 N ATOM 294 CA LEU A 680 39.649 27.181 12.870 1.00 26.63 C ATOM 295 C LEU A 680 38.777 26.231 12.042 1.00 29.92 C ATOM 296 O LEU A 680 38.749 26.361 10.821 1.00 28.65 O ATOM 297 CB LEU A 680 41.120 26.785 12.730 1.00 28.33 C ATOM 298 CG LEU A 680 42.221 27.514 13.499 1.00 30.22 C ATOM 299 CD1 LEU A 680 43.593 27.106 12.929 1.00 31.09 C ATOM 300 CD2 LEU A 680 42.080 29.016 13.556 1.00 35.19 C ATOM 301 H LEU A 680 39.893 26.933 14.994 1.00 0.00 H ATOM 302 N SER A 681 38.099 25.277 12.700 1.00 25.55 N ATOM 303 CA SER A 681 37.195 24.335 12.011 1.00 27.21 C ATOM 304 C SER A 681 35.914 24.953 11.369 1.00 24.20 C ATOM 305 O SER A 681 35.304 24.300 10.504 1.00 25.21 O ATOM 306 CB SER A 681 36.789 23.202 12.967 1.00 21.77 C ATOM 307 OG SER A 681 35.979 23.719 14.010 1.00 26.31 O ATOM 308 HG SER A 681 35.721 22.984 14.621 1.00 0.00 H ATOM 309 H SER A 681 38.215 25.199 13.731 1.00 0.00 H ATOM 310 N ALA A 682 35.550 26.165 11.788 1.00 27.90 N ATOM 311 CA ALA A 682 34.275 26.852 11.438 1.00 35.76 C ATOM 312 C ALA A 682 33.940 26.686 9.971 1.00 28.99 C ATOM 313 O ALA A 682 32.914 26.146 9.649 1.00 40.88 O ATOM 314 CB ALA A 682 34.354 28.327 11.769 1.00 38.14 C ATOM 315 H ALA A 682 36.210 26.673 12.411 1.00 0.00 H ATOM 316 N ILE A 683 34.862 27.106 9.116 1.00 31.57 N ATOM 317 CA ILE A 683 34.634 27.128 7.688 1.00 34.21 C ATOM 318 C ILE A 683 34.601 25.718 7.070 1.00 28.85 C ATOM 319 O ILE A 683 34.101 25.546 5.958 1.00 23.83 O ATOM 320 CB ILE A 683 35.663 28.074 6.976 1.00 34.70 C ATOM 321 CG1 ILE A 683 35.141 28.574 5.609 1.00 69.75 C ATOM 322 CG2 ILE A 683 36.987 27.415 6.761 1.00 35.03 C ATOM 323 CD1 ILE A 683 33.926 29.483 5.688 1.00 86.10 C ATOM 324 H ILE A 683 35.779 27.430 9.484 1.00 0.00 H ATOM 325 N PHE A 684 35.137 24.712 7.779 1.00 24.58 N ATOM 326 CA PHE A 684 35.282 23.335 7.296 1.00 21.88 C ATOM 327 C PHE A 684 34.080 22.436 7.598 1.00 27.53 C ATOM 328 O PHE A 684 33.992 21.331 7.048 1.00 27.53 O ATOM 329 CB PHE A 684 36.583 22.712 7.872 1.00 25.43 C ATOM 330 CG PHE A 684 37.846 23.371 7.340 1.00 30.30 C ATOM 331 CD1 PHE A 684 38.297 23.128 6.042 1.00 29.40 C ATOM 332 CD2 PHE A 684 38.573 24.268 8.134 1.00 27.19 C ATOM 333 CE1 PHE A 684 39.451 23.757 5.571 1.00 35.74 C ATOM 334 CE2 PHE A 684 39.722 24.898 7.656 1.00 33.21 C ATOM 335 CZ PHE A 684 40.161 24.650 6.386 1.00 28.45 C ATOM 336 H PHE A 684 35.474 24.924 8.740 1.00 0.00 H ATOM 337 N LEU A 685 33.152 22.902 8.459 1.00 27.27 N ATOM 338 CA LEU A 685 32.017 22.049 8.916 1.00 27.20 C ATOM 339 C LEU A 685 31.143 21.593 7.735 1.00 27.26 C ATOM 340 O LEU A 685 30.899 20.411 7.568 1.00 29.28 O ATOM 341 CB LEU A 685 31.182 22.748 9.993 1.00 36.69 C ATOM 342 CG LEU A 685 31.925 23.143 11.296 1.00 42.59 C ATOM 343 CD1 LEU A 685 30.973 23.703 12.355 1.00 47.21 C ATOM 344 CD2 LEU A 685 32.762 22.003 11.862 1.00 33.49 C ATOM 345 H LEU A 685 33.230 23.877 8.812 1.00 0.00 H ATOM 346 N ARG A 686 30.741 22.531 6.885 1.00 29.72 N ATOM 347 CA ARG A 686 29.862 22.226 5.753 1.00 34.50 C ATOM 348 C ARG A 686 30.275 22.991 4.488 1.00 28.45 C ATOM 349 O ARG A 686 30.321 24.213 4.476 1.00 25.36 O ATOM 350 CB ARG A 686 28.421 22.570 6.110 1.00 34.51 C ATOM 351 CG ARG A 686 27.405 22.134 5.096 1.00 42.51 C ATOM 352 CD ARG A 686 27.144 20.667 5.233 1.00 50.05 C ATOM 353 NE ARG A 686 26.101 20.282 4.306 1.00 53.89 N ATOM 354 CZ ARG A 686 26.300 19.974 3.026 1.00 71.72 C ATOM 355 NH1 ARG A 686 25.247 19.629 2.273 1.00 64.96 N ATOM 356 NH2 ARG A 686 27.528 20.007 2.481 1.00 52.53 N ATOM 357 HE ARG A 686 25.126 20.243 4.666 1.00 0.00 H ATOM 358 HH12 ARG A 686 25.382 19.385 1.271 1.00 0.00 H ATOM 359 HH11 ARG A 686 24.295 19.605 2.690 1.00 0.00 H ATOM 360 HH22 ARG A 686 27.659 19.762 1.479 1.00 0.00 H ATOM 361 HH21 ARG A 686 28.347 20.277 3.062 1.00 0.00 H ATOM 362 H ARG A 686 31.059 23.511 7.027 1.00 0.00 H ATOM 363 N LEU A 687 30.590 22.240 3.437 1.00 28.25 N ATOM 364 CA LEU A 687 30.841 22.803 2.122 1.00 32.62 C ATOM 365 C LEU A 687 29.625 23.567 1.619 1.00 26.45 C ATOM 366 O LEU A 687 28.493 23.120 1.756 1.00 40.91 O ATOM 367 CB LEU A 687 31.109 21.718 1.087 1.00 30.47 C ATOM 368 CG LEU A 687 32.548 21.318 0.871 1.00 36.05 C ATOM 369 CD1 LEU A 687 32.529 20.022 0.090 1.00 39.16 C ATOM 370 CD2 LEU A 687 33.342 22.389 0.119 1.00 36.23 C ATOM 371 H LEU A 687 30.659 21.210 3.561 1.00 0.00 H ATOM 372 N PRO A 688 29.871 24.710 0.983 1.00 30.95 N ATOM 373 CA PRO A 688 28.831 25.317 0.192 1.00 41.16 C ATOM 374 C PRO A 688 28.348 24.450 -1.004 1.00 33.89 C ATOM 375 O PRO A 688 28.977 23.461 -1.392 1.00 34.33 O ATOM 376 CB PRO A 688 29.499 26.598 -0.334 1.00 37.06 C ATOM 377 CG PRO A 688 30.635 26.833 0.603 1.00 34.37 C ATOM 378 CD PRO A 688 31.124 25.472 0.893 1.00 31.59 C ATOM 379 N SER A 689 27.233 24.867 -1.580 1.00 36.48 N ATOM 380 CA SER A 689 26.613 24.157 -2.699 1.00 40.73 C ATOM 381 C SER A 689 27.397 24.366 -3.982 1.00 41.66 C ATOM 382 O SER A 689 28.257 25.237 -4.060 1.00 35.57 O ATOM 383 CB SER A 689 25.198 24.668 -2.896 1.00 40.62 C ATOM 384 OG SER A 689 25.230 25.900 -3.566 1.00 46.86 O ATOM 385 HG SER A 689 24.305 26.230 -3.692 1.00 0.00 H ATOM 386 H SER A 689 26.780 25.733 -1.224 1.00 0.00 H ATOM 387 N ARG A 690 27.100 23.536 -4.986 1.00 47.05 N ATOM 388 CA ARG A 690 27.684 23.668 -6.321 1.00 49.88 C ATOM 389 C ARG A 690 27.446 25.044 -6.951 1.00 46.36 C ATOM 390 O ARG A 690 28.334 25.606 -7.639 1.00 47.74 O ATOM 391 CB ARG A 690 27.112 22.586 -7.230 1.00 55.02 C ATOM 392 CG ARG A 690 27.710 21.232 -6.928 1.00 63.64 C ATOM 393 CD ARG A 690 26.880 20.053 -7.459 1.00 53.93 C ATOM 394 NE ARG A 690 27.496 18.850 -6.947 1.00 51.31 N ATOM 395 CZ ARG A 690 28.608 18.297 -7.445 1.00 57.90 C ATOM 396 NH1 ARG A 690 29.206 18.791 -8.533 1.00 55.05 N ATOM 397 NH2 ARG A 690 29.134 17.229 -6.852 1.00 63.59 N ATOM 398 HE ARG A 690 27.044 18.382 -6.136 1.00 0.00 H ATOM 399 HH12 ARG A 690 30.070 18.343 -8.900 1.00 0.00 H ATOM 400 HH11 ARG A 690 28.808 19.624 -9.012 1.00 0.00 H ATOM 401 HH22 ARG A 690 29.998 16.795 -7.234 1.00 0.00 H ATOM 402 HH21 ARG A 690 28.681 16.828 -6.006 1.00 0.00 H ATOM 403 H ARG A 690 26.426 22.764 -4.811 1.00 0.00 H ATOM 404 N SER A 691 26.248 25.570 -6.694 1.00 42.02 N ATOM 405 CA SER A 691 25.851 26.916 -7.115 1.00 51.55 C ATOM 406 C SER A 691 26.686 28.018 -6.440 1.00 50.93 C ATOM 407 O SER A 691 27.111 29.013 -7.074 1.00 76.29 O ATOM 408 CB SER A 691 24.356 27.055 -6.844 1.00 48.08 C ATOM 409 OG SER A 691 23.951 28.365 -7.079 1.00 72.13 O ATOM 410 HG SER A 691 22.981 28.446 -6.901 1.00 0.00 H ATOM 411 H SER A 691 25.560 24.995 -6.167 1.00 0.00 H ATOM 412 N GLU A 692 26.984 27.823 -5.154 1.00 47.92 N ATOM 413 CA GLU A 692 27.749 28.781 -4.380 1.00 38.15 C ATOM 414 C GLU A 692 29.279 28.779 -4.604 1.00 41.88 C ATOM 415 O GLU A 692 29.944 29.826 -4.450 1.00 40.04 O ATOM 416 CB GLU A 692 27.464 28.534 -2.865 1.00 41.90 C ATOM 417 CG GLU A 692 26.040 28.893 -2.435 1.00 35.16 C ATOM 418 CD GLU A 692 25.701 28.439 -1.013 1.00 39.82 C ATOM 419 OE1 GLU A 692 26.092 27.357 -0.595 1.00 40.45 O ATOM 420 OE2 GLU A 692 24.984 29.169 -0.317 1.00 47.40 O ATOM 421 H GLU A 692 26.656 26.952 -4.690 1.00 0.00 H ATOM 422 N LEU A 693 29.855 27.604 -4.821 1.00 38.98 N ATOM 423 CA LEU A 693 31.320 27.438 -4.907 1.00 45.13 C ATOM 424 C LEU A 693 31.619 26.517 -6.126 1.00 48.71 C ATOM 425 O LEU A 693 32.294 25.512 -5.983 1.00 40.79 O ATOM 426 CB LEU A 693 31.878 26.874 -3.582 1.00 41.16 C ATOM 427 CG LEU A 693 33.351 27.092 -3.226 1.00 52.26 C ATOM 428 CD1 LEU A 693 33.635 28.542 -2.867 1.00 46.29 C ATOM 429 CD2 LEU A 693 33.785 26.175 -2.086 1.00 53.85 C ATOM 430 H LEU A 693 29.250 26.766 -4.935 1.00 0.00 H ATOM 431 N PRO A 694 31.142 26.900 -7.333 1.00 55.98 N ATOM 432 CA PRO A 694 31.294 26.060 -8.559 1.00 44.57 C ATOM 433 C PRO A 694 32.763 25.697 -8.908 1.00 41.38 C ATOM 434 O PRO A 694 33.030 24.587 -9.293 1.00 45.62 O ATOM 435 CB PRO A 694 30.651 26.927 -9.659 1.00 54.86 C ATOM 436 CG PRO A 694 30.825 28.345 -9.183 1.00 53.52 C ATOM 437 CD PRO A 694 30.695 28.269 -7.658 1.00 49.43 C ATOM 438 N ASP A 695 33.708 26.616 -8.692 1.00 49.03 N ATOM 439 CA ASP A 695 35.122 26.369 -9.015 1.00 44.16 C ATOM 440 C ASP A 695 35.793 25.309 -8.134 1.00 65.87 C ATOM 441 O ASP A 695 36.708 24.618 -8.596 1.00 60.06 O ATOM 442 CB ASP A 695 35.940 27.667 -8.966 1.00 51.02 C ATOM 443 CG ASP A 695 35.577 28.639 -10.127 1.00 85.51 C ATOM 444 OD1 ASP A 695 34.447 28.495 -10.656 1.00 95.79 O ATOM 445 OD2 ASP A 695 36.394 29.532 -10.516 1.00 62.35 O ATOM 446 H ASP A 695 33.436 27.533 -8.284 1.00 0.00 H ATOM 447 N TYR A 696 35.361 25.191 -6.873 1.00 49.40 N ATOM 448 CA TYR A 696 35.789 24.094 -6.023 1.00 48.20 C ATOM 449 C TYR A 696 35.408 22.764 -6.694 1.00 38.27 C ATOM 450 O TYR A 696 36.253 21.885 -6.870 1.00 38.05 O ATOM 451 CB TYR A 696 35.184 24.210 -4.605 1.00 44.39 C ATOM 452 CG TYR A 696 35.425 23.008 -3.719 1.00 39.06 C ATOM 453 CD1 TYR A 696 34.580 21.905 -3.785 1.00 40.72 C ATOM 454 CD2 TYR A 696 36.491 22.985 -2.775 1.00 41.58 C ATOM 455 CE1 TYR A 696 34.777 20.796 -2.968 1.00 40.01 C ATOM 456 CE2 TYR A 696 36.709 21.866 -1.955 1.00 29.68 C ATOM 457 CZ TYR A 696 35.835 20.783 -2.059 1.00 31.32 C ATOM 458 OH TYR A 696 35.991 19.702 -1.277 1.00 30.17 O ATOM 459 HH TYR A 696 35.920 19.971 -0.327 1.00 0.00 H ATOM 460 H TYR A 696 34.703 25.901 -6.493 1.00 0.00 H ATOM 461 N TYR A 697 34.144 22.648 -7.067 1.00 31.02 N ATOM 462 CA TYR A 697 33.610 21.422 -7.633 1.00 43.12 C ATOM 463 C TYR A 697 34.213 21.063 -9.005 1.00 42.45 C ATOM 464 O TYR A 697 34.299 19.910 -9.347 1.00 45.33 O ATOM 465 CB TYR A 697 32.082 21.467 -7.682 1.00 36.69 C ATOM 466 CG TYR A 697 31.465 21.433 -6.307 1.00 38.26 C ATOM 467 CD1 TYR A 697 31.325 20.221 -5.597 1.00 43.66 C ATOM 468 CD2 TYR A 697 31.069 22.604 -5.676 1.00 49.89 C ATOM 469 CE1 TYR A 697 30.762 20.193 -4.317 1.00 39.09 C ATOM 470 CE2 TYR A 697 30.516 22.584 -4.387 1.00 45.28 C ATOM 471 CZ TYR A 697 30.351 21.371 -3.726 1.00 37.88 C ATOM 472 OH TYR A 697 29.809 21.353 -2.456 1.00 33.75 O ATOM 473 HH TYR A 697 28.899 21.742 -2.481 1.00 0.00 H ATOM 474 H TYR A 697 33.510 23.464 -6.951 1.00 0.00 H ATOM 475 N LEU A 698 34.669 22.053 -9.743 1.00 48.23 N ATOM 476 CA LEU A 698 35.376 21.824 -11.018 1.00 51.33 C ATOM 477 C LEU A 698 36.837 21.381 -10.844 1.00 49.74 C ATOM 478 O LEU A 698 37.400 20.830 -11.751 1.00 47.63 O ATOM 479 CB LEU A 698 35.397 23.135 -11.815 1.00 55.01 C ATOM 480 CG LEU A 698 34.112 23.688 -12.442 1.00 77.70 C ATOM 481 CD1 LEU A 698 34.401 25.007 -13.209 1.00 62.48 C ATOM 482 CD2 LEU A 698 33.459 22.647 -13.324 1.00 73.46 C ATOM 483 H LEU A 698 34.526 23.030 -9.416 1.00 0.00 H ATOM 484 N THR A 699 37.443 21.709 -9.713 1.00 42.72 N ATOM 485 CA THR A 699 38.854 21.522 -9.429 1.00 49.31 C ATOM 486 C THR A 699 39.075 20.232 -8.634 1.00 48.48 C ATOM 487 O THR A 699 40.141 19.654 -8.709 1.00 54.09 O ATOM 488 CB THR A 699 39.392 22.745 -8.575 1.00 53.39 C ATOM 489 OG1 THR A 699 39.218 23.960 -9.314 1.00 73.20 O ATOM 490 CG2 THR A 699 40.884 22.606 -8.136 1.00 58.38 C ATOM 491 HG1 THR A 699 38.256 24.092 -9.509 1.00 0.00 H ATOM 492 H THR A 699 36.859 22.136 -8.966 1.00 0.00 H ATOM 493 N ILE A 700 38.106 19.851 -7.795 1.00 49.57 N ATOM 494 CA ILE A 700 38.311 18.865 -6.717 1.00 40.82 C ATOM 495 C ILE A 700 37.556 17.599 -7.071 1.00 39.99 C ATOM 496 O ILE A 700 36.346 17.649 -7.253 1.00 43.33 O ATOM 497 CB ILE A 700 37.806 19.436 -5.358 1.00 38.63 C ATOM 498 CG1 ILE A 700 38.651 20.651 -4.949 1.00 35.14 C ATOM 499 CG2 ILE A 700 37.787 18.367 -4.277 1.00 34.68 C ATOM 500 CD1 ILE A 700 40.164 20.410 -4.808 1.00 46.83 C ATOM 501 H ILE A 700 37.161 20.271 -7.908 1.00 0.00 H ATOM 502 N LYS A 701 38.272 16.475 -7.126 1.00 41.72 N ATOM 503 CA LYS A 701 37.705 15.217 -7.574 1.00 38.85 C ATOM 504 C LYS A 701 36.800 14.647 -6.499 1.00 41.65 C ATOM 505 O LYS A 701 35.707 14.188 -6.779 1.00 37.59 O ATOM 506 CB LYS A 701 38.830 14.233 -7.934 1.00 46.84 C ATOM 507 CG LYS A 701 38.406 12.986 -8.712 1.00 57.13 C ATOM 508 H LYS A 701 39.271 16.501 -6.838 1.00 0.00 H ATOM 509 N LYS A 702 37.237 14.694 -5.242 1.00 45.49 N ATOM 510 CA LYS A 702 36.470 14.111 -4.150 1.00 30.98 C ATOM 511 C LYS A 702 36.130 15.175 -3.083 1.00 38.06 C ATOM 512 O LYS A 702 36.888 15.349 -2.161 1.00 37.68 O ATOM 513 CB LYS A 702 37.275 12.979 -3.494 1.00 41.14 C ATOM 514 H LYS A 702 38.145 15.157 -5.036 1.00 0.00 H ATOM 515 N PRO A 703 34.957 15.823 -3.167 1.00 38.54 N ATOM 516 CA PRO A 703 34.521 16.772 -2.113 1.00 39.48 C ATOM 517 C PRO A 703 34.505 16.209 -0.697 1.00 45.77 C ATOM 518 O PRO A 703 34.181 15.039 -0.497 1.00 38.85 O ATOM 519 CB PRO A 703 33.094 17.127 -2.524 1.00 36.39 C ATOM 520 CG PRO A 703 33.060 16.896 -4.000 1.00 46.92 C ATOM 521 CD PRO A 703 33.989 15.759 -4.278 1.00 42.47 C ATOM 522 N MET A 704 34.876 17.029 0.289 1.00 33.13 N ATOM 523 CA MET A 704 34.892 16.552 1.676 1.00 25.56 C ATOM 524 C MET A 704 34.653 17.720 2.601 1.00 29.52 C ATOM 525 O MET A 704 35.179 18.823 2.344 1.00 29.90 O ATOM 526 CB MET A 704 36.258 15.895 1.988 1.00 28.87 C ATOM 527 CG MET A 704 36.306 15.130 3.309 1.00 27.31 C ATOM 528 SD MET A 704 35.041 13.886 3.526 1.00 29.85 S ATOM 529 CE MET A 704 35.398 12.735 2.190 1.00 34.44 C ATOM 530 H MET A 704 35.154 18.008 0.073 1.00 0.00 H ATOM 531 N ASP A 705 33.819 17.497 3.627 1.00 24.34 N ATOM 532 CA ASP A 705 33.648 18.430 4.712 1.00 27.97 C ATOM 533 C ASP A 705 33.494 17.635 6.039 1.00 28.69 C ATOM 534 O ASP A 705 33.450 16.395 6.023 1.00 28.76 O ATOM 535 CB ASP A 705 32.512 19.435 4.436 1.00 32.89 C ATOM 536 CG ASP A 705 31.125 18.786 4.268 1.00 39.90 C ATOM 537 OD1 ASP A 705 30.884 17.665 4.718 1.00 28.78 O ATOM 538 OD2 ASP A 705 30.228 19.458 3.733 1.00 26.04 O ATOM 539 H ASP A 705 33.272 16.613 3.640 1.00 0.00 H ATOM 540 N MET A 706 33.508 18.334 7.168 1.00 25.67 N ATOM 541 CA MET A 706 33.506 17.665 8.473 1.00 26.26 C ATOM 542 C MET A 706 32.180 17.009 8.809 1.00 27.16 C ATOM 543 O MET A 706 32.164 15.995 9.477 1.00 28.86 O ATOM 544 CB MET A 706 33.937 18.607 9.570 1.00 25.95 C ATOM 545 CG MET A 706 35.377 19.067 9.412 1.00 28.79 C ATOM 546 SD MET A 706 36.112 19.993 10.762 1.00 25.88 S ATOM 547 CE MET A 706 35.715 18.931 12.163 1.00 24.78 C ATOM 548 H MET A 706 33.521 19.373 7.126 1.00 0.00 H ATOM 549 N GLU A 707 31.105 17.524 8.254 1.00 26.93 N ATOM 550 CA GLU A 707 29.791 16.939 8.384 1.00 30.18 C ATOM 551 C GLU A 707 29.721 15.531 7.744 1.00 34.85 C ATOM 552 O GLU A 707 29.098 14.646 8.311 1.00 31.52 O ATOM 553 CB GLU A 707 28.782 17.861 7.636 1.00 37.01 C ATOM 554 CG GLU A 707 27.292 17.510 7.727 1.00 45.69 C ATOM 555 CD GLU A 707 26.938 16.844 9.066 1.00 68.44 C ATOM 556 OE1 GLU A 707 27.317 17.440 10.113 1.00 53.93 O ATOM 557 OE2 GLU A 707 26.313 15.738 9.105 1.00 59.08 O ATOM 558 H GLU A 707 31.206 18.395 7.694 1.00 0.00 H ATOM 559 N LYS A 708 30.274 15.373 6.533 1.00 28.04 N ATOM 560 CA LYS A 708 30.401 14.070 5.871 1.00 29.76 C ATOM 561 C LYS A 708 31.178 13.080 6.765 1.00 31.52 C ATOM 562 O LYS A 708 30.762 11.942 7.018 1.00 26.96 O ATOM 563 CB LYS A 708 31.115 14.235 4.507 1.00 38.48 C ATOM 564 CG LYS A 708 30.848 13.137 3.478 1.00 56.49 C ATOM 565 CD LYS A 708 31.272 13.500 2.052 1.00 54.33 C ATOM 566 H LYS A 708 30.631 16.216 6.039 1.00 0.00 H ATOM 567 N ILE A 709 32.300 13.525 7.271 1.00 22.01 N ATOM 568 CA ILE A 709 33.097 12.709 8.170 1.00 27.61 C ATOM 569 C ILE A 709 32.331 12.370 9.488 1.00 31.24 C ATOM 570 O ILE A 709 32.366 11.204 9.979 1.00 27.49 O ATOM 571 CB ILE A 709 34.404 13.443 8.522 1.00 27.53 C ATOM 572 CG1 ILE A 709 35.318 13.589 7.285 1.00 26.07 C ATOM 573 CG2 ILE A 709 35.171 12.733 9.626 1.00 26.26 C ATOM 574 CD1 ILE A 709 36.525 14.512 7.519 1.00 28.19 C ATOM 575 H ILE A 709 32.627 14.481 7.025 1.00 0.00 H ATOM 576 N ARG A 710 31.680 13.378 10.095 1.00 28.61 N ATOM 577 CA ARG A 710 30.938 13.138 11.344 1.00 30.19 C ATOM 578 C ARG A 710 29.807 12.106 11.166 1.00 28.91 C ATOM 579 O ARG A 710 29.617 11.211 12.008 1.00 30.83 O ATOM 580 CB ARG A 710 30.327 14.423 11.877 1.00 34.26 C ATOM 581 CG ARG A 710 29.712 14.367 13.302 1.00 28.97 C ATOM 582 CD ARG A 710 28.691 15.496 13.470 1.00 31.45 C ATOM 583 NE ARG A 710 27.742 15.423 12.351 1.00 50.39 N ATOM 584 CZ ARG A 710 26.736 14.532 12.276 1.00 65.22 C ATOM 585 NH1 ARG A 710 26.458 13.695 13.295 1.00 39.03 N ATOM 586 NH2 ARG A 710 25.961 14.484 11.195 1.00 55.35 N ATOM 587 HE ARG A 710 27.854 16.100 11.570 1.00 0.00 H ATOM 588 HH12 ARG A 710 25.675 13.016 13.211 1.00 0.00 H ATOM 589 HH11 ARG A 710 27.027 13.728 14.165 1.00 0.00 H ATOM 590 HH22 ARG A 710 25.185 13.794 11.142 1.00 0.00 H ATOM 591 HH21 ARG A 710 26.132 15.137 10.404 1.00 0.00 H ATOM 592 H ARG A 710 31.701 14.332 9.680 1.00 0.00 H ATOM 593 N SER A 711 29.054 12.263 10.083 1.00 27.20 N ATOM 594 CA SER A 711 27.992 11.355 9.750 1.00 34.79 C ATOM 595 C SER A 711 28.513 9.885 9.574 1.00 36.08 C ATOM 596 O SER A 711 27.951 8.930 10.140 1.00 37.76 O ATOM 597 CB SER A 711 27.266 11.944 8.530 1.00 37.42 C ATOM 598 OG SER A 711 26.347 11.054 7.944 1.00 45.55 O ATOM 599 HG SER A 711 25.915 11.491 7.168 1.00 0.00 H ATOM 600 H SER A 711 29.240 13.071 9.455 1.00 0.00 H ATOM 601 N HIS A 712 29.607 9.720 8.831 1.00 37.76 N ATOM 602 CA HIS A 712 30.214 8.402 8.622 1.00 32.67 C ATOM 603 C HIS A 712 30.685 7.789 9.957 1.00 32.28 C ATOM 604 O HIS A 712 30.432 6.630 10.251 1.00 33.31 O ATOM 605 CB HIS A 712 31.383 8.544 7.642 1.00 33.70 C ATOM 606 CG HIS A 712 31.716 7.290 6.884 1.00 34.50 C ATOM 607 ND1 HIS A 712 31.007 6.893 5.768 1.00 41.53 N ATOM 608 CD2 HIS A 712 32.730 6.398 7.020 1.00 37.95 C ATOM 609 CE1 HIS A 712 31.562 5.806 5.254 1.00 34.51 C ATOM 610 NE2 HIS A 712 32.603 5.477 5.995 1.00 38.41 N ATOM 611 H HIS A 712 30.044 10.552 8.386 1.00 0.00 H ATOM 612 N MET A 713 31.384 8.593 10.762 1.00 29.35 N ATOM 613 CA MET A 713 31.793 8.207 12.131 1.00 32.00 C ATOM 614 C MET A 713 30.608 7.694 12.967 1.00 33.05 C ATOM 615 O MET A 713 30.680 6.609 13.498 1.00 34.64 O ATOM 616 CB MET A 713 32.429 9.384 12.880 1.00 28.61 C ATOM 617 CG MET A 713 32.936 9.045 14.292 1.00 33.48 C ATOM 618 SD MET A 713 33.654 10.427 15.145 1.00 33.48 S ATOM 619 CE MET A 713 32.230 11.527 15.309 1.00 36.52 C ATOM 620 H MET A 713 31.654 9.534 10.411 1.00 0.00 H ATOM 621 N MET A 714 29.544 8.488 13.045 1.00 35.35 N ATOM 622 CA MET A 714 28.363 8.154 13.849 1.00 44.91 C ATOM 623 C MET A 714 27.550 6.974 13.313 1.00 39.34 C ATOM 624 O MET A 714 26.872 6.296 14.082 1.00 36.63 O ATOM 625 CB MET A 714 27.474 9.394 14.040 1.00 33.69 C ATOM 626 CG MET A 714 28.162 10.485 14.834 1.00 32.92 C ATOM 627 SD MET A 714 28.778 9.972 16.504 1.00 38.75 S ATOM 628 CE MET A 714 27.207 9.490 17.196 1.00 41.41 C ATOM 629 H MET A 714 29.549 9.382 12.514 1.00 0.00 H ATOM 630 N ALA A 715 27.658 6.711 12.019 1.00 43.34 N ATOM 631 CA ALA A 715 27.087 5.514 11.416 1.00 42.37 C ATOM 632 C ALA A 715 27.944 4.273 11.657 1.00 37.35 C ATOM 633 O ALA A 715 27.592 3.195 11.224 1.00 50.10 O ATOM 634 CB ALA A 715 26.902 5.735 9.926 1.00 41.76 C ATOM 635 H ALA A 715 28.169 7.383 11.412 1.00 0.00 H ATOM 636 N ASN A 716 29.076 4.416 12.336 1.00 47.52 N ATOM 637 CA ASN A 716 30.006 3.325 12.540 1.00 50.67 C ATOM 638 C ASN A 716 30.619 2.795 11.245 1.00 47.20 C ATOM 639 O ASN A 716 31.028 1.661 11.214 1.00 46.31 O ATOM 640 CB ASN A 716 29.328 2.153 13.280 1.00 44.55 C ATOM 641 CG ASN A 716 30.313 1.299 14.063 1.00 48.52 C ATOM 642 OD1 ASN A 716 31.359 1.767 14.527 1.00 51.80 O ATOM 643 ND2 ASN A 716 29.982 0.018 14.204 1.00 53.03 N ATOM 644 HD22 ASN A 716 29.093 -0.337 13.798 1.00 0.00 H ATOM 645 HD21 ASN A 716 30.613 -0.628 14.720 1.00 0.00 H ATOM 646 H ASN A 716 29.304 5.348 12.737 1.00 0.00 H ATOM 647 N LYS A 717 30.757 3.629 10.223 1.00 40.38 N ATOM 648 CA LYS A 717 31.236 3.176 8.941 1.00 37.33 C ATOM 649 C LYS A 717 32.769 3.221 8.776 1.00 43.83 C ATOM 650 O LYS A 717 33.288 2.639 7.834 1.00 40.31 O ATOM 651 CB LYS A 717 30.533 3.907 7.820 1.00 42.45 C ATOM 652 CG LYS A 717 29.133 3.401 7.566 1.00 42.98 C ATOM 653 CD LYS A 717 28.391 4.311 6.572 1.00 62.89 C ATOM 654 CE LYS A 717 27.671 3.570 5.435 1.00 86.39 C ATOM 655 NZ LYS A 717 26.297 3.111 5.757 1.00 85.23 N ATOM 656 HZ1 LYS A 717 26.332 2.457 6.565 1.00 0.00 H ATOM 657 HZ2 LYS A 717 25.706 3.932 5.999 1.00 0.00 H ATOM 658 HZ3 LYS A 717 25.893 2.624 4.932 1.00 0.00 H ATOM 659 H LYS A 717 30.514 4.632 10.349 1.00 0.00 H ATOM 660 N TYR A 718 33.504 3.891 9.663 1.00 35.67 N ATOM 661 CA TYR A 718 34.992 3.820 9.636 1.00 40.96 C ATOM 662 C TYR A 718 35.484 2.512 10.236 1.00 48.20 C ATOM 663 O TYR A 718 35.194 2.220 11.373 1.00 47.40 O ATOM 664 CB TYR A 718 35.666 4.986 10.363 1.00 31.78 C ATOM 665 CG TYR A 718 35.558 6.304 9.607 1.00 36.34 C ATOM 666 CD1 TYR A 718 36.160 6.457 8.362 1.00 39.14 C ATOM 667 CD2 TYR A 718 34.844 7.391 10.125 1.00 28.41 C ATOM 668 CE1 TYR A 718 36.056 7.631 7.661 1.00 32.23 C ATOM 669 CE2 TYR A 718 34.742 8.588 9.417 1.00 31.33 C ATOM 670 CZ TYR A 718 35.346 8.701 8.184 1.00 33.17 C ATOM 671 OH TYR A 718 35.246 9.868 7.478 1.00 31.22 O ATOM 672 HH TYR A 718 35.734 9.777 6.622 1.00 0.00 H ATOM 673 H TYR A 718 33.032 4.472 10.385 1.00 0.00 H ATOM 674 N GLN A 719 36.279 1.778 9.467 1.00 45.94 N ATOM 675 CA GLN A 719 36.819 0.487 9.867 1.00 55.88 C ATOM 676 C GLN A 719 38.005 0.660 10.801 1.00 49.37 C ATOM 677 O GLN A 719 38.282 -0.234 11.593 1.00 58.73 O ATOM 678 CB GLN A 719 37.259 -0.325 8.637 1.00 66.38 C ATOM 679 CG GLN A 719 36.185 -0.529 7.571 1.00 66.02 C ATOM 680 CD GLN A 719 35.079 -1.467 8.035 1.00 93.42 C ATOM 681 OE1 GLN A 719 34.276 -1.109 8.891 1.00 92.18 O ATOM 682 NE2 GLN A 719 35.029 -2.673 7.468 1.00 77.70 N ATOM 683 HE22 GLN A 719 35.729 -2.937 6.746 1.00 0.00 H ATOM 684 HE21 GLN A 719 34.290 -3.349 7.748 1.00 0.00 H ATOM 685 H GLN A 719 36.530 2.146 8.527 1.00 0.00 H ATOM 686 N ASP A 720 38.698 1.801 10.710 1.00 39.50 N ATOM 687 CA ASP A 720 39.827 2.104 11.596 1.00 48.79 C ATOM 688 C ASP A 720 40.036 3.628 11.723 1.00 39.60 C ATOM 689 O ASP A 720 39.432 4.441 11.003 1.00 41.48 O ATOM 690 CB ASP A 720 41.113 1.357 11.108 1.00 44.34 C ATOM 691 CG ASP A 720 41.454 1.661 9.669 1.00 56.22 C ATOM 692 OD1 ASP A 720 41.385 2.835 9.277 1.00 54.91 O ATOM 693 OD2 ASP A 720 41.727 0.728 8.899 1.00 75.75 O ATOM 694 H ASP A 720 38.427 2.497 9.986 1.00 0.00 H ATOM 695 N ILE A 721 40.936 4.001 12.612 1.00 42.55 N ATOM 696 CA ILE A 721 41.260 5.399 12.851 1.00 51.50 C ATOM 697 C ILE A 721 41.874 6.057 11.604 1.00 51.08 C ATOM 698 O ILE A 721 41.550 7.179 11.241 1.00 31.25 O ATOM 699 CB ILE A 721 42.169 5.545 14.093 1.00 42.89 C ATOM 700 CG1 ILE A 721 41.492 4.947 15.356 1.00 56.47 C ATOM 701 CG2 ILE A 721 42.487 7.004 14.384 1.00 38.89 C ATOM 702 CD1 ILE A 721 40.074 5.410 15.592 1.00 75.48 C ATOM 703 H ILE A 721 41.431 3.270 13.161 1.00 0.00 H ATOM 704 N ASP A 722 42.768 5.347 10.950 1.00 38.29 N ATOM 705 CA ASP A 722 43.444 5.923 9.808 1.00 34.16 C ATOM 706 C ASP A 722 42.564 6.251 8.609 1.00 31.93 C ATOM 707 O ASP A 722 42.922 7.107 7.800 1.00 34.77 O ATOM 708 CB ASP A 722 44.640 5.035 9.442 1.00 41.68 C ATOM 709 CG ASP A 722 45.765 5.165 10.458 1.00 38.94 C ATOM 710 OD1 ASP A 722 46.002 6.296 10.921 1.00 43.75 O ATOM 711 OD2 ASP A 722 46.443 4.173 10.762 1.00 52.21 O ATOM 712 H ASP A 722 42.988 4.377 11.253 1.00 0.00 H ATOM 713 N SER A 723 41.433 5.568 8.469 1.00 27.93 N ATOM 714 CA SER A 723 40.470 5.870 7.403 1.00 35.68 C ATOM 715 C SER A 723 39.840 7.205 7.598 1.00 34.61 C ATOM 716 O SER A 723 39.588 7.907 6.630 1.00 34.23 O ATOM 717 CB SER A 723 39.345 4.827 7.331 1.00 40.44 C ATOM 718 OG SER A 723 39.925 3.551 7.209 1.00 56.05 O ATOM 719 HG SER A 723 40.500 3.375 7.995 1.00 0.00 H ATOM 720 H SER A 723 41.224 4.797 9.134 1.00 0.00 H ATOM 721 N MET A 724 39.526 7.542 8.861 1.00 33.94 N ATOM 722 CA MET A 724 39.052 8.856 9.175 1.00 33.34 C ATOM 723 C MET A 724 40.144 9.891 8.986 1.00 29.26 C ATOM 724 O MET A 724 39.865 10.954 8.461 1.00 28.54 O ATOM 725 CB MET A 724 38.493 8.932 10.595 1.00 37.53 C ATOM 726 CG MET A 724 37.980 10.330 10.949 1.00 47.98 C ATOM 727 SD MET A 724 37.023 10.571 12.449 1.00 33.14 S ATOM 728 CE MET A 724 38.512 10.901 13.237 1.00 25.70 C ATOM 729 H MET A 724 39.629 6.839 9.620 1.00 0.00 H ATOM 730 N VAL A 725 41.371 9.606 9.438 1.00 24.54 N ATOM 731 CA VAL A 725 42.494 10.526 9.239 1.00 26.05 C ATOM 732 C VAL A 725 42.677 10.860 7.733 1.00 35.56 C ATOM 733 O VAL A 725 42.886 12.023 7.362 1.00 35.42 O ATOM 734 CB VAL A 725 43.815 9.991 9.857 1.00 34.38 C ATOM 735 CG1 VAL A 725 45.022 10.864 9.450 1.00 41.10 C ATOM 736 CG2 VAL A 725 43.741 9.968 11.396 1.00 32.41 C ATOM 737 H VAL A 725 41.531 8.711 9.942 1.00 0.00 H ATOM 738 N GLU A 726 42.592 9.834 6.895 1.00 35.25 N ATOM 739 CA GLU A 726 42.665 9.993 5.427 1.00 32.47 C ATOM 740 C GLU A 726 41.625 10.966 4.886 1.00 28.34 C ATOM 741 O GLU A 726 41.958 11.793 4.038 1.00 28.28 O ATOM 742 CB GLU A 726 42.543 8.632 4.746 1.00 42.46 C ATOM 743 CG GLU A 726 43.808 7.761 4.980 1.00 70.01 C ATOM 744 CD GLU A 726 44.851 7.839 3.879 1.00 75.72 C ATOM 745 OE1 GLU A 726 44.421 7.945 2.719 1.00 59.83 O ATOM 746 OE2 GLU A 726 46.098 7.791 4.175 1.00 56.50 O ATOM 747 H GLU A 726 42.469 8.879 7.287 1.00 0.00 H ATOM 748 N ASP A 727 40.386 10.885 5.385 1.00 24.32 N ATOM 749 CA ASP A 727 39.312 11.801 4.982 1.00 29.63 C ATOM 750 C ASP A 727 39.619 13.238 5.376 1.00 30.92 C ATOM 751 O ASP A 727 39.423 14.144 4.575 1.00 27.87 O ATOM 752 CB ASP A 727 37.963 11.351 5.521 1.00 30.55 C ATOM 753 CG ASP A 727 37.352 10.211 4.715 1.00 31.15 C ATOM 754 OD1 ASP A 727 37.845 9.896 3.638 1.00 32.22 O ATOM 755 OD2 ASP A 727 36.355 9.625 5.157 1.00 32.20 O ATOM 756 H ASP A 727 40.176 10.145 6.085 1.00 0.00 H ATOM 757 N PHE A 728 40.135 13.440 6.594 1.00 27.17 N ATOM 758 CA PHE A 728 40.532 14.783 7.042 1.00 26.70 C ATOM 759 C PHE A 728 41.680 15.301 6.155 1.00 34.08 C ATOM 760 O PHE A 728 41.689 16.474 5.783 1.00 23.99 O ATOM 761 CB PHE A 728 40.974 14.805 8.507 1.00 27.33 C ATOM 762 CG PHE A 728 39.866 15.010 9.479 1.00 24.56 C ATOM 763 CD1 PHE A 728 39.313 16.277 9.662 1.00 22.58 C ATOM 764 CD2 PHE A 728 39.378 13.959 10.261 1.00 33.79 C ATOM 765 CE1 PHE A 728 38.326 16.501 10.632 1.00 22.50 C ATOM 766 CE2 PHE A 728 38.363 14.180 11.196 1.00 25.95 C ATOM 767 CZ PHE A 728 37.828 15.446 11.368 1.00 25.14 C ATOM 768 H PHE A 728 40.258 12.631 7.236 1.00 0.00 H ATOM 769 N VAL A 729 42.654 14.432 5.882 1.00 33.67 N ATOM 770 CA VAL A 729 43.832 14.802 5.090 1.00 34.96 C ATOM 771 C VAL A 729 43.374 15.210 3.688 1.00 32.04 C ATOM 772 O VAL A 729 43.826 16.200 3.147 1.00 36.10 O ATOM 773 CB VAL A 729 44.943 13.679 5.050 1.00 33.45 C ATOM 774 CG1 VAL A 729 45.990 14.013 4.003 1.00 42.57 C ATOM 775 CG2 VAL A 729 45.632 13.540 6.392 1.00 35.22 C ATOM 776 H VAL A 729 42.576 13.460 6.243 1.00 0.00 H ATOM 777 N MET A 730 42.464 14.433 3.129 1.00 29.88 N ATOM 778 CA MET A 730 41.862 14.737 1.836 1.00 34.54 C ATOM 779 C MET A 730 41.194 16.125 1.865 1.00 39.33 C ATOM 780 O MET A 730 41.369 16.945 0.940 1.00 29.74 O ATOM 781 CB MET A 730 40.857 13.630 1.490 1.00 40.98 C ATOM 782 CG MET A 730 39.750 13.920 0.480 1.00 63.75 C ATOM 783 SD MET A 730 40.009 13.254 -1.139 1.00 75.39 S ATOM 784 CE MET A 730 41.441 14.192 -1.576 1.00 41.90 C ATOM 785 H MET A 730 42.165 13.572 3.630 1.00 0.00 H ATOM 786 N MET A 731 40.423 16.372 2.926 1.00 28.26 N ATOM 787 CA MET A 731 39.776 17.656 3.116 1.00 29.62 C ATOM 788 C MET A 731 40.798 18.819 3.103 1.00 26.96 C ATOM 789 O MET A 731 40.603 19.835 2.402 1.00 26.04 O ATOM 790 CB MET A 731 38.941 17.678 4.408 1.00 27.11 C ATOM 791 CG MET A 731 38.070 18.911 4.539 1.00 30.06 C ATOM 792 SD MET A 731 37.068 18.939 6.047 1.00 28.89 S ATOM 793 CE MET A 731 38.343 19.267 7.248 1.00 27.57 C ATOM 794 H MET A 731 40.282 15.624 3.635 1.00 0.00 H ATOM 795 N PHE A 732 41.882 18.668 3.843 1.00 28.84 N ATOM 796 CA PHE A 732 42.864 19.764 3.972 1.00 26.88 C ATOM 797 C PHE A 732 43.671 19.937 2.692 1.00 32.29 C ATOM 798 O PHE A 732 43.982 21.071 2.286 1.00 38.30 O ATOM 799 CB PHE A 732 43.752 19.543 5.194 1.00 30.63 C ATOM 800 CG PHE A 732 42.976 19.586 6.530 1.00 31.40 C ATOM 801 CD1 PHE A 732 42.088 20.638 6.808 1.00 27.10 C ATOM 802 CD2 PHE A 732 43.140 18.590 7.487 1.00 34.53 C ATOM 803 CE1 PHE A 732 41.396 20.692 8.017 1.00 32.73 C ATOM 804 CE2 PHE A 732 42.469 18.650 8.698 1.00 32.40 C ATOM 805 CZ PHE A 732 41.578 19.695 8.952 1.00 29.03 C ATOM 806 H PHE A 732 42.046 17.769 4.339 1.00 0.00 H ATOM 807 N ASN A 733 43.981 18.825 2.050 1.00 32.51 N ATOM 808 CA ASN A 733 44.578 18.849 0.701 1.00 44.13 C ATOM 809 C ASN A 733 43.695 19.481 -0.365 1.00 34.98 C ATOM 810 O ASN A 733 44.195 20.192 -1.225 1.00 42.93 O ATOM 811 CB ASN A 733 44.912 17.429 0.244 1.00 40.84 C ATOM 812 CG ASN A 733 46.184 16.917 0.855 1.00 57.43 C ATOM 813 OD1 ASN A 733 47.020 17.683 1.338 1.00 86.45 O ATOM 814 ND2 ASN A 733 46.319 15.609 0.888 1.00 57.48 N ATOM 815 HD22 ASN A 733 45.588 15.000 0.468 1.00 0.00 H ATOM 816 HD21 ASN A 733 47.157 15.184 1.334 1.00 0.00 H ATOM 817 H ASN A 733 43.800 17.909 2.507 1.00 0.00 H ATOM 818 N ASN A 734 42.410 19.144 -0.364 1.00 37.57 N ATOM 819 CA ASN A 734 41.460 19.819 -1.233 1.00 32.87 C ATOM 820 C ASN A 734 41.529 21.323 -0.998 1.00 49.45 C ATOM 821 O ASN A 734 41.620 22.100 -1.963 1.00 40.22 O ATOM 822 CB ASN A 734 40.023 19.342 -0.984 1.00 35.25 C ATOM 823 CG ASN A 734 39.736 17.940 -1.515 1.00 33.23 C ATOM 824 OD1 ASN A 734 40.516 17.370 -2.256 1.00 41.22 O ATOM 825 ND2 ASN A 734 38.638 17.357 -1.060 1.00 37.95 N ATOM 826 HD22 ASN A 734 37.996 17.878 -0.428 1.00 0.00 H ATOM 827 HD21 ASN A 734 38.417 16.378 -1.334 1.00 0.00 H ATOM 828 H ASN A 734 42.079 18.387 0.267 1.00 0.00 H ATOM 829 N ALA A 735 41.485 21.727 0.281 1.00 38.58 N ATOM 830 CA ALA A 735 41.521 23.152 0.662 1.00 34.29 C ATOM 831 C ALA A 735 42.785 23.852 0.166 1.00 31.96 C ATOM 832 O ALA A 735 42.738 24.962 -0.326 1.00 33.15 O ATOM 833 CB ALA A 735 41.416 23.289 2.187 1.00 28.25 C ATOM 834 H ALA A 735 41.423 21.009 1.031 1.00 0.00 H ATOM 835 N CYS A 736 43.910 23.174 0.323 1.00 32.04 N ATOM 836 CA CYS A 736 45.228 23.682 -0.085 1.00 46.11 C ATOM 837 C CYS A 736 45.486 23.572 -1.624 1.00 39.15 C ATOM 838 O CYS A 736 46.325 24.269 -2.168 1.00 54.51 O ATOM 839 CB CYS A 736 46.315 22.963 0.736 1.00 42.33 C ATOM 840 SG CYS A 736 46.323 23.400 2.522 1.00 42.43 S ATOM 841 H CYS A 736 43.859 22.231 0.758 1.00 0.00 H ATOM 842 N THR A 737 44.760 22.701 -2.311 1.00 41.36 N ATOM 843 CA THR A 737 44.746 22.668 -3.794 1.00 48.64 C ATOM 844 C THR A 737 43.882 23.792 -4.389 1.00 40.96 C ATOM 845 O THR A 737 44.300 24.503 -5.289 1.00 46.00 O ATOM 846 CB THR A 737 44.210 21.300 -4.294 1.00 43.91 C ATOM 847 OG1 THR A 737 45.072 20.287 -3.805 1.00 44.77 O ATOM 848 CG2 THR A 737 44.167 21.216 -5.810 1.00 49.11 C ATOM 849 HG1 THR A 737 45.079 20.311 -2.815 1.00 0.00 H ATOM 850 H THR A 737 44.178 22.014 -1.790 1.00 0.00 H ATOM 851 N TYR A 738 42.653 23.918 -3.910 1.00 37.47 N ATOM 852 CA TYR A 738 41.741 24.907 -4.441 1.00 35.36 C ATOM 853 C TYR A 738 42.156 26.341 -4.106 1.00 38.55 C ATOM 854 O TYR A 738 42.046 27.194 -4.960 1.00 50.94 O ATOM 855 CB TYR A 738 40.309 24.608 -3.992 1.00 38.91 C ATOM 856 CG TYR A 738 39.316 25.660 -4.400 1.00 46.45 C ATOM 857 CD1 TYR A 738 39.110 25.993 -5.769 1.00 53.31 C ATOM 858 CD2 TYR A 738 38.594 26.331 -3.449 1.00 41.93 C ATOM 859 CE1 TYR A 738 38.198 26.975 -6.154 1.00 47.67 C ATOM 860 CE2 TYR A 738 37.691 27.307 -3.815 1.00 36.64 C ATOM 861 CZ TYR A 738 37.499 27.632 -5.149 1.00 41.39 C ATOM 862 OH TYR A 738 36.592 28.589 -5.465 1.00 51.96 O ATOM 863 HH TYR A 738 35.697 28.313 -5.143 1.00 0.00 H ATOM 864 H TYR A 738 42.339 23.295 -3.139 1.00 0.00 H ATOM 865 N ASN A 739 42.600 26.595 -2.881 1.00 37.25 N ATOM 866 CA ASN A 739 43.081 27.903 -2.429 1.00 41.87 C ATOM 867 C ASN A 739 44.585 28.093 -2.521 1.00 41.77 C ATOM 868 O ASN A 739 45.334 27.136 -2.654 1.00 51.19 O ATOM 869 CB ASN A 739 42.628 28.154 -1.000 1.00 37.52 C ATOM 870 CG ASN A 739 41.131 28.007 -0.867 1.00 43.43 C ATOM 871 OD1 ASN A 739 40.411 28.962 -1.066 1.00 35.64 O ATOM 872 ND2 ASN A 739 40.656 26.800 -0.521 1.00 37.61 N ATOM 873 HD22 ASN A 739 41.312 26.009 -0.360 1.00 0.00 H ATOM 874 HD21 ASN A 739 39.632 26.656 -0.414 1.00 0.00 H ATOM 875 H ASN A 739 42.607 25.813 -2.196 1.00 0.00 H ATOM 876 N GLU A 740 44.999 29.361 -2.489 1.00 52.80 N ATOM 877 CA GLU A 740 46.400 29.744 -2.691 1.00 57.96 C ATOM 878 C GLU A 740 47.079 29.771 -1.321 1.00 57.71 C ATOM 879 O GLU A 740 46.388 30.028 -0.326 1.00 48.65 O ATOM 880 CB GLU A 740 46.494 31.129 -3.352 1.00 62.81 C ATOM 881 CG GLU A 740 46.018 31.220 -4.804 1.00 52.88 C ATOM 882 CD GLU A 740 46.731 30.266 -5.731 1.00 63.38 C ATOM 883 OE1 GLU A 740 47.961 30.102 -5.619 1.00 86.31 O ATOM 884 OE2 GLU A 740 46.053 29.678 -6.586 1.00 74.64 O ATOM 885 H GLU A 740 44.298 30.109 -2.313 1.00 0.00 H ATOM 886 N PRO A 741 48.421 29.532 -1.261 1.00 65.46 N ATOM 887 CA PRO A 741 49.197 29.573 0.003 1.00 69.44 C ATOM 888 C PRO A 741 49.044 30.843 0.832 1.00 62.54 C ATOM 889 O PRO A 741 49.114 30.783 2.055 1.00 47.60 O ATOM 890 CB PRO A 741 50.633 29.431 -0.469 1.00 67.41 C ATOM 891 CG PRO A 741 50.529 28.594 -1.676 1.00 61.66 C ATOM 892 CD PRO A 741 49.236 28.964 -2.351 1.00 65.88 C ATOM 893 N GLU A 742 48.787 31.963 0.159 1.00 76.13 N ATOM 894 CA GLU A 742 48.595 33.253 0.814 1.00 81.31 C ATOM 895 C GLU A 742 47.206 33.424 1.498 1.00 64.22 C ATOM 896 O GLU A 742 47.032 34.335 2.296 1.00 75.59 O ATOM 897 CB GLU A 742 48.897 34.398 -0.185 1.00 58.07 C ATOM 898 CG GLU A 742 50.305 34.346 -0.746 1.00 56.19 C ATOM 899 H GLU A 742 48.720 31.916 -0.878 1.00 0.00 H ATOM 900 N SER A 743 46.229 32.577 1.185 1.00 60.08 N ATOM 901 CA SER A 743 44.890 32.667 1.804 1.00 71.95 C ATOM 902 C SER A 743 44.821 32.083 3.220 1.00 68.10 C ATOM 903 O SER A 743 45.603 31.209 3.620 1.00 46.21 O ATOM 904 CB SER A 743 43.824 31.968 0.954 1.00 60.39 C ATOM 905 OG SER A 743 43.956 30.571 1.043 1.00 46.25 O ATOM 906 HG SER A 743 44.852 30.304 0.717 1.00 0.00 H ATOM 907 H SER A 743 46.413 31.830 0.485 1.00 0.00 H ATOM 908 N LEU A 744 43.847 32.569 3.966 1.00 54.51 N ATOM 909 CA LEU A 744 43.742 32.238 5.386 1.00 55.66 C ATOM 910 C LEU A 744 43.251 30.816 5.538 1.00 51.00 C ATOM 911 O LEU A 744 43.722 30.127 6.411 1.00 48.71 O ATOM 912 CB LEU A 744 42.816 33.223 6.121 1.00 53.23 C ATOM 913 CG LEU A 744 42.695 33.010 7.640 1.00 41.96 C ATOM 914 CD1 LEU A 744 44.069 32.995 8.309 1.00 45.95 C ATOM 915 CD2 LEU A 744 41.809 34.073 8.204 1.00 44.10 C ATOM 916 H LEU A 744 43.141 33.199 3.536 1.00 0.00 H ATOM 917 N ILE A 745 42.295 30.404 4.684 1.00 44.66 N ATOM 918 CA ILE A 745 41.771 29.049 4.698 1.00 44.10 C ATOM 919 C ILE A 745 42.883 28.005 4.474 1.00 41.01 C ATOM 920 O ILE A 745 42.905 26.989 5.134 1.00 33.61 O ATOM 921 CB ILE A 745 40.559 28.840 3.755 1.00 40.53 C ATOM 922 CG1 ILE A 745 39.977 27.426 3.940 1.00 48.43 C ATOM 923 CG2 ILE A 745 40.940 29.047 2.313 1.00 57.29 C ATOM 924 CD1 ILE A 745 38.592 27.230 3.341 1.00 45.31 C ATOM 925 H ILE A 745 41.918 31.080 3.989 1.00 0.00 H ATOM 926 N TYR A 746 43.826 28.315 3.602 1.00 35.01 N ATOM 927 CA TYR A 746 44.988 27.472 3.356 1.00 44.01 C ATOM 928 C TYR A 746 45.820 27.294 4.674 1.00 36.89 C ATOM 929 O TYR A 746 46.231 26.188 5.031 1.00 45.89 O ATOM 930 CB TYR A 746 45.845 28.146 2.244 1.00 46.16 C ATOM 931 CG TYR A 746 46.993 27.329 1.726 1.00 42.09 C ATOM 932 CD1 TYR A 746 48.131 27.112 2.507 1.00 45.26 C ATOM 933 CD2 TYR A 746 46.954 26.770 0.439 1.00 52.47 C ATOM 934 CE1 TYR A 746 49.191 26.347 2.051 1.00 50.05 C ATOM 935 CE2 TYR A 746 48.026 26.021 -0.042 1.00 45.19 C ATOM 936 CZ TYR A 746 49.132 25.815 0.774 1.00 56.17 C ATOM 937 OH TYR A 746 50.183 25.075 0.352 1.00 54.35 O ATOM 938 HH TYR A 746 50.869 25.041 1.065 1.00 0.00 H ATOM 939 H TYR A 746 43.734 29.202 3.067 1.00 0.00 H ATOM 940 N LYS A 747 46.082 28.397 5.357 1.00 47.47 N ATOM 941 CA LYS A 747 46.923 28.382 6.546 1.00 45.83 C ATOM 942 C LYS A 747 46.195 27.706 7.721 1.00 35.67 C ATOM 943 O LYS A 747 46.786 26.876 8.443 1.00 39.49 O ATOM 944 CB LYS A 747 47.429 29.779 6.869 1.00 53.50 C ATOM 945 CG LYS A 747 48.594 29.762 7.848 1.00 53.01 C ATOM 946 H LYS A 747 45.676 29.299 5.036 1.00 0.00 H ATOM 947 N ASP A 748 44.906 27.966 7.864 1.00 30.11 N ATOM 948 CA ASP A 748 44.067 27.239 8.838 1.00 33.26 C ATOM 949 C ASP A 748 44.068 25.732 8.583 1.00 30.57 C ATOM 950 O ASP A 748 44.163 24.932 9.524 1.00 36.04 O ATOM 951 CB ASP A 748 42.598 27.734 8.800 1.00 35.74 C ATOM 952 CG ASP A 748 42.433 29.134 9.327 1.00 35.71 C ATOM 953 OD1 ASP A 748 43.378 29.730 9.894 1.00 33.76 O ATOM 954 OD2 ASP A 748 41.325 29.674 9.209 1.00 31.26 O ATOM 955 H ASP A 748 44.471 28.703 7.274 1.00 0.00 H ATOM 956 N ALA A 749 43.983 25.334 7.306 1.00 39.13 N ATOM 957 CA ALA A 749 44.080 23.921 6.923 1.00 28.23 C ATOM 958 C ALA A 749 45.378 23.296 7.375 1.00 28.05 C ATOM 959 O ALA A 749 45.383 22.122 7.753 1.00 28.83 O ATOM 960 CB ALA A 749 43.904 23.723 5.415 1.00 35.65 C ATOM 961 H ALA A 749 43.844 26.049 6.564 1.00 0.00 H ATOM 962 N LEU A 750 46.489 24.032 7.260 1.00 33.13 N ATOM 963 CA LEU A 750 47.814 23.498 7.606 1.00 36.72 C ATOM 964 C LEU A 750 47.894 23.328 9.075 1.00 35.72 C ATOM 965 O LEU A 750 48.440 22.310 9.544 1.00 39.27 O ATOM 966 CB LEU A 750 48.980 24.401 7.185 1.00 46.16 C ATOM 967 CG LEU A 750 49.323 24.608 5.719 1.00 54.07 C ATOM 968 CD1 LEU A 750 50.565 25.490 5.635 1.00 53.36 C ATOM 969 CD2 LEU A 750 49.513 23.281 4.995 1.00 59.22 C ATOM 970 H LEU A 750 46.413 25.010 6.916 1.00 0.00 H ATOM 971 N VAL A 751 47.323 24.302 9.793 1.00 37.53 N ATOM 972 CA VAL A 751 47.286 24.221 11.264 1.00 39.01 C ATOM 973 C VAL A 751 46.415 23.072 11.746 1.00 28.26 C ATOM 974 O VAL A 751 46.851 22.221 12.512 1.00 35.11 O ATOM 975 CB VAL A 751 46.883 25.559 11.912 1.00 37.31 C ATOM 976 CG1 VAL A 751 46.747 25.373 13.413 1.00 33.41 C ATOM 977 CG2 VAL A 751 47.931 26.646 11.607 1.00 35.15 C ATOM 978 H VAL A 751 46.903 25.121 9.310 1.00 0.00 H ATOM 979 N LEU A 752 45.201 22.975 11.226 1.00 33.79 N ATOM 980 CA LEU A 752 44.367 21.838 11.615 1.00 28.23 C ATOM 981 C LEU A 752 44.922 20.464 11.149 1.00 31.64 C ATOM 982 O LEU A 752 44.676 19.451 11.766 1.00 32.15 O ATOM 983 CB LEU A 752 42.957 22.006 11.110 1.00 25.50 C ATOM 984 CG LEU A 752 42.161 23.146 11.758 1.00 29.76 C ATOM 985 CD1 LEU A 752 40.839 23.247 11.039 1.00 27.68 C ATOM 986 CD2 LEU A 752 41.973 22.910 13.243 1.00 25.28 C ATOM 987 H LEU A 752 44.849 23.690 10.557 1.00 0.00 H ATOM 988 N HIS A 753 45.630 20.435 10.039 1.00 34.48 N ATOM 989 CA HIS A 753 46.278 19.200 9.585 1.00 33.78 C ATOM 990 C HIS A 753 47.334 18.750 10.600 1.00 28.42 C ATOM 991 O HIS A 753 47.409 17.569 10.970 1.00 33.42 O ATOM 992 CB HIS A 753 46.854 19.429 8.174 1.00 36.93 C ATOM 993 CG HIS A 753 47.625 18.279 7.659 1.00 50.43 C ATOM 994 ND1 HIS A 753 48.972 18.126 7.901 1.00 75.00 N ATOM 995 CD2 HIS A 753 47.240 17.211 6.931 1.00 47.00 C ATOM 996 CE1 HIS A 753 49.379 17.002 7.345 1.00 63.86 C ATOM 997 NE2 HIS A 753 48.344 16.429 6.756 1.00 57.64 N ATOM 998 H HIS A 753 45.731 21.303 9.475 1.00 0.00 H ATOM 999 N LYS A 754 48.108 19.709 11.121 1.00 44.80 N ATOM 1000 CA LYS A 754 49.069 19.457 12.204 1.00 33.65 C ATOM 1001 C LYS A 754 48.383 18.969 13.470 1.00 46.96 C ATOM 1002 O LYS A 754 48.868 18.035 14.094 1.00 45.73 O ATOM 1003 CB LYS A 754 49.916 20.728 12.482 1.00 42.90 C ATOM 1004 CG LYS A 754 51.106 20.520 13.404 1.00 44.22 C ATOM 1005 H LYS A 754 48.026 20.674 10.743 1.00 0.00 H ATOM 1006 N VAL A 755 47.271 19.614 13.846 1.00 33.58 N ATOM 1007 CA VAL A 755 46.484 19.212 15.000 1.00 37.78 C ATOM 1008 C VAL A 755 45.993 17.766 14.868 1.00 33.17 C ATOM 1009 O VAL A 755 46.064 16.994 15.823 1.00 36.39 O ATOM 1010 CB VAL A 755 45.272 20.182 15.248 1.00 36.01 C ATOM 1011 CG1 VAL A 755 44.308 19.604 16.268 1.00 29.36 C ATOM 1012 CG2 VAL A 755 45.759 21.560 15.696 1.00 32.89 C ATOM 1013 H VAL A 755 46.958 20.435 13.290 1.00 0.00 H ATOM 1014 N LEU A 756 45.466 17.445 13.689 1.00 29.91 N ATOM 1015 CA LEU A 756 45.049 16.095 13.314 1.00 29.47 C ATOM 1016 C LEU A 756 46.157 15.012 13.507 1.00 32.96 C ATOM 1017 O LEU A 756 45.919 13.975 14.145 1.00 38.48 O ATOM 1018 CB LEU A 756 44.571 16.075 11.839 1.00 38.90 C ATOM 1019 CG LEU A 756 44.184 14.705 11.238 1.00 30.85 C ATOM 1020 CD1 LEU A 756 42.827 14.268 11.748 1.00 31.49 C ATOM 1021 CD2 LEU A 756 44.248 14.748 9.714 1.00 30.96 C ATOM 1022 H LEU A 756 45.343 18.204 12.989 1.00 0.00 H ATOM 1023 N LEU A 757 47.346 15.260 12.973 1.00 38.92 N ATOM 1024 CA LEU A 757 48.446 14.286 13.114 1.00 47.66 C ATOM 1025 C LEU A 757 48.978 14.147 14.541 1.00 47.60 C ATOM 1026 O LEU A 757 49.358 13.053 14.949 1.00 55.39 O ATOM 1027 CB LEU A 757 49.573 14.606 12.155 1.00 49.99 C ATOM 1028 CG LEU A 757 49.190 14.606 10.665 1.00 56.79 C ATOM 1029 CD1 LEU A 757 50.443 14.860 9.834 1.00 53.58 C ATOM 1030 CD2 LEU A 757 48.507 13.313 10.245 1.00 49.26 C ATOM 1031 H LEU A 757 47.504 16.146 12.452 1.00 0.00 H ATOM 1032 N GLU A 758 49.001 15.254 15.280 1.00 47.42 N ATOM 1033 CA GLU A 758 49.398 15.261 16.685 1.00 38.22 C ATOM 1034 C GLU A 758 48.436 14.419 17.496 1.00 46.10 C ATOM 1035 O GLU A 758 48.850 13.604 18.302 1.00 43.97 O ATOM 1036 CB GLU A 758 49.427 16.695 17.221 1.00 48.50 C ATOM 1037 CG GLU A 758 50.773 17.354 17.022 1.00 58.79 C ATOM 1038 CD GLU A 758 50.738 18.851 17.192 1.00 65.56 C ATOM 1039 OE1 GLU A 758 49.766 19.357 17.786 1.00 61.02 O ATOM 1040 OE2 GLU A 758 51.684 19.505 16.701 1.00 65.17 O ATOM 1041 H GLU A 758 48.724 16.153 14.837 1.00 0.00 H ATOM 1042 N THR A 759 47.143 14.602 17.258 1.00 42.16 N ATOM 1043 CA THR A 759 46.117 13.843 17.949 1.00 37.75 C ATOM 1044 C THR A 759 46.235 12.373 17.643 1.00 49.42 C ATOM 1045 O THR A 759 46.179 11.538 18.536 1.00 47.78 O ATOM 1046 CB THR A 759 44.710 14.329 17.573 1.00 46.03 C ATOM 1047 OG1 THR A 759 44.633 15.737 17.803 1.00 43.99 O ATOM 1048 CG2 THR A 759 43.645 13.626 18.411 1.00 43.05 C ATOM 1049 HG1 THR A 759 45.308 16.199 17.245 1.00 0.00 H ATOM 1050 H THR A 759 46.856 15.312 16.554 1.00 0.00 H ATOM 1051 N ARG A 760 46.423 12.083 16.364 1.00 49.51 N ATOM 1052 CA ARG A 760 46.716 10.734 15.908 1.00 57.84 C ATOM 1053 C ARG A 760 47.931 10.069 16.573 1.00 56.17 C ATOM 1054 O ARG A 760 47.771 8.962 17.095 1.00 60.22 O ATOM 1055 CB ARG A 760 46.924 10.728 14.398 1.00 42.37 C ATOM 1056 CG ARG A 760 47.229 9.369 13.760 1.00 45.95 C ATOM 1057 CD ARG A 760 46.037 8.475 13.850 1.00 44.49 C ATOM 1058 NE ARG A 760 46.345 7.132 13.436 1.00 51.12 N ATOM 1059 CZ ARG A 760 46.767 6.175 14.255 1.00 69.94 C ATOM 1060 NH1 ARG A 760 47.031 6.391 15.549 1.00 81.60 N ATOM 1061 NH2 ARG A 760 46.973 4.987 13.741 1.00 68.69 N ATOM 1062 HE ARG A 760 46.230 6.895 12.430 1.00 0.00 H ATOM 1063 HH12 ARG A 760 47.359 5.609 16.150 1.00 0.00 H ATOM 1064 HH11 ARG A 760 46.908 7.341 15.953 1.00 0.00 H ATOM 1065 HH22 ARG A 760 47.304 4.209 14.346 1.00 0.00 H ATOM 1066 HH21 ARG A 760 46.806 4.823 12.728 1.00 0.00 H ATOM 1067 H ARG A 760 46.359 12.847 15.662 1.00 0.00 H ATOM 1068 N ARG A 761 49.109 10.712 16.503 1.00 58.19 N ATOM 1069 CA ARG A 761 50.359 10.225 17.167 1.00 58.72 C ATOM 1070 C ARG A 761 50.102 9.852 18.645 1.00 57.98 C ATOM 1071 O ARG A 761 50.587 8.850 19.143 1.00 70.08 O ATOM 1072 CB ARG A 761 51.504 11.265 17.077 1.00 56.25 C ATOM 1073 H ARG A 761 49.155 11.596 15.958 1.00 0.00 H ATOM 1074 N ASP A 762 49.287 10.655 19.314 1.00 57.75 N ATOM 1075 CA ASP A 762 48.939 10.481 20.713 1.00 68.57 C ATOM 1076 C ASP A 762 47.872 9.447 21.029 1.00 78.30 C ATOM 1077 O ASP A 762 47.596 9.203 22.196 1.00 74.92 O ATOM 1078 CB ASP A 762 48.512 11.826 21.240 1.00 71.62 C ATOM 1079 CG ASP A 762 49.591 12.882 21.057 1.00 88.41 C ATOM 1080 OD1 ASP A 762 50.628 12.641 20.372 1.00 69.98 O ATOM 1081 OD2 ASP A 762 49.375 13.965 21.602 1.00 96.12 O ATOM 1082 H ASP A 762 48.870 11.461 18.805 1.00 0.00 H ATOM 1083 N LEU A 763 47.274 8.844 20.011 1.00 62.26 N ATOM 1084 CA LEU A 763 46.625 7.553 20.197 1.00 87.36 C ATOM 1085 C LEU A 763 47.659 6.494 19.839 1.00 57.46 C ATOM 1086 O LEU A 763 48.139 5.768 20.698 1.00112.18 O ATOM 1087 CB LEU A 763 45.412 7.406 19.286 1.00 92.26 C ATOM 1088 CG LEU A 763 44.385 8.539 19.153 1.00 79.33 C ATOM 1089 CD1 LEU A 763 43.522 8.215 17.944 1.00 76.14 C ATOM 1090 CD2 LEU A 763 43.528 8.751 20.398 1.00 69.84 C ATOM 1091 H LEU A 763 47.268 9.295 19.074 1.00 0.00 H TER 1092 LEU A 763 HETATM 1093 O HOH 1 47.226 28.007 16.194 1.00 35.59 O HETATM 1094 O HOH 2 45.170 31.333 13.987 1.00 33.09 O HETATM 1095 O HOH 3 22.987 26.883 -3.246 1.00 41.27 O HETATM 1096 O HOH 4 37.226 19.532 0.898 1.00 32.74 O HETATM 1097 O HOH 5 41.740 20.497 19.948 1.00 32.35 O HETATM 1098 O HOH 6 34.250 28.854 -6.455 1.00 37.52 O HETATM 1099 O HOH 7 30.537 18.743 14.001 1.00 37.05 O HETATM 1100 O HOH 8 24.298 2.933 30.992 1.00 39.20 O HETATM 1101 O HOH 9 39.033 24.140 15.150 1.00 22.12 O HETATM 1102 O HOH 10 31.295 14.543 18.163 1.00 41.05 O HETATM 1103 O HOH 11 27.715 -0.373 20.848 1.00 46.14 O HETATM 1104 O HOH 12 47.481 30.220 18.313 1.00 37.61 O HETATM 1105 O HOH 13 39.482 15.133 21.581 1.00 39.50 O HETATM 1106 O HOH 14 32.231 26.372 4.180 1.00 33.26 O HETATM 1107 O HOH 15 33.569 24.822 14.653 1.00 41.94 O HETATM 1108 O HOH 16 45.962 29.762 10.772 1.00 37.90 O HETATM 1109 O HOH 17 32.974 -0.363 11.214 1.00 52.08 O HETATM 1110 O HOH 18 39.131 29.971 7.543 1.00 45.28 O HETATM 1111 O HOH 19 28.334 7.615 5.616 1.00 53.66 O HETATM 1112 O HOH 20 37.713 28.634 9.617 1.00 43.67 O HETATM 1113 O HOH 21 40.082 15.589 -4.337 1.00 35.28 O HETATM 1114 O HOH 22 35.226 10.066 22.498 1.00 36.47 O HETATM 1115 O HOH 23 50.550 20.325 8.573 1.00 45.46 O HETATM 1116 O HOH 24 25.416 9.081 11.303 1.00 41.12 O HETATM 1117 O HOH 25 37.106 29.719 -0.908 1.00 44.67 O HETATM 1118 O HOH 26 24.755 31.846 -1.150 1.00 43.18 O HETATM 1119 O HOH 27 35.356 -0.871 18.800 1.00 52.01 O HETATM 1120 O HOH 28 33.517 17.982 -7.244 1.00 41.52 O HETATM 1121 O HOH 29 33.837 3.024 13.820 1.00 39.05 O HETATM 1122 O HOH 30 44.536 13.677 -0.318 1.00 54.45 O HETATM 1123 O HOH 31 27.133 13.737 16.115 1.00 45.69 O HETATM 1124 O HOH 32 30.977 25.398 7.624 1.00 32.83 O HETATM 1125 O HOH 33 32.838 4.965 12.364 1.00 37.27 O HETATM 1126 O HOH 34 36.737 2.774 6.717 1.00 43.45 O HETATM 1127 O HOH 35 35.576 30.896 15.616 1.00 34.36 O HETATM 1128 O HOH 36 43.241 28.574 22.768 1.00 45.91 O HETATM 1129 O HOH 37 46.144 27.698 20.960 1.00 49.51 O HETATM 1130 O HOH 38 43.459 16.348 -2.402 1.00 42.55 O HETATM 1131 O HOH 39 42.489 24.324 21.514 1.00 30.75 O HETATM 1132 O HOH 40 41.388 16.793 -6.471 1.00 51.82 O HETATM 1133 O HOH 41 49.134 5.889 10.300 1.00 56.00 O HETATM 1134 O HOH 42 37.201 30.764 11.586 1.00 46.97 O HETATM 1135 O HOH 43 22.769 24.470 -5.358 1.00 47.83 O HETATM 1136 O HOH 44 36.851 34.152 21.045 1.00 48.62 O HETATM 1137 O HOH 45 37.618 6.363 4.123 1.00 50.82 O HETATM 1138 O HOH 46 37.472 17.325 -10.642 1.00 51.92 O HETATM 1139 O HOH 47 32.861 9.514 3.965 1.00 44.13 O HETATM 1140 O HOH 48 39.323 30.935 -4.223 1.00 51.82 O HETATM 1141 O HOH 49 46.541 34.416 16.012 1.00 50.52 O HETATM 1142 O HOH 50 49.168 22.903 16.234 1.00 53.58 O HETATM 1143 CAN UNN A 51 34.692 27.414 1.521 1.00 -0.03 C HETATM 1144 CAL UNN A 51 35.875 26.619 0.972 1.00 0.01 C HETATM 1145 CAI UNN A 51 36.262 25.312 1.271 1.00 0.05 C HETATM 1146 CAF UNN A 51 35.825 24.257 2.112 1.00 -0.02 C HETATM 1147 CAD UNN A 51 34.674 24.373 2.906 1.00 -0.06 C HETATM 1148 CAB UNN A 51 34.243 23.335 3.723 1.00 -0.07 C HETATM 1149 CAA UNN A 51 34.970 22.136 3.712 1.00 -0.06 C HETATM 1150 CAC UNN A 51 36.108 21.997 2.930 1.00 -0.05 C HETATM 1151 CAE UNN A 51 36.547 23.045 2.112 1.00 0.06 C HETATM 1152 CAH UNN A 51 37.694 22.940 1.290 1.00 0.28 C HETATM 1153 OAG UNN A 51 38.380 21.931 1.212 1.00 -0.36 O HETATM 1154 OAK UNN A 51 38.116 24.004 0.509 1.00 -0.17 O HETATM 1155 CAJ UNN A 51 37.406 25.169 0.491 1.00 0.26 C HETATM 1156 NAO UNN A 51 37.619 26.314 -0.164 1.00 -0.19 N HETATM 1157 NAM UNN A 51 36.735 27.133 0.109 1.00 -0.24 N HETATM 1158 H8 UNN A 51 38.407 26.489 -0.804 1.00 0.25 H HETATM 1159 H7 UNN A 51 36.663 21.066 2.953 1.00 0.06 H HETATM 1160 H6 UNN A 51 34.638 21.305 4.324 1.00 0.06 H HETATM 1161 H5 UNN A 51 33.368 23.449 4.352 1.00 0.06 H HETATM 1162 H4 UNN A 51 34.106 25.296 2.881 1.00 0.06 H HETATM 1163 H1 UNN A 51 34.683 28.417 1.069 1.00 0.04 H HETATM 1164 H2 UNN A 51 34.786 27.505 2.613 1.00 0.04 H HETATM 1165 H3 UNN A 51 33.755 26.893 1.276 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1143 1144 1163 1164 1165 CONECT 1144 1143 1145 1157 CONECT 1145 1144 1146 1155 CONECT 1146 1145 1147 1151 CONECT 1147 1146 1148 1162 CONECT 1148 1147 1149 1161 CONECT 1149 1148 1150 1160 CONECT 1150 1149 1151 1159 CONECT 1151 1146 1150 1152 CONECT 1152 1151 1153 1154 CONECT 1153 1152 CONECT 1154 1152 1155 CONECT 1155 1145 1154 1156 CONECT 1156 1155 1157 1158 CONECT 1157 1144 1156 CONECT 1158 1156 CONECT 1159 1150 CONECT 1160 1149 CONECT 1161 1148 CONECT 1162 1147 CONECT 1163 1143 CONECT 1164 1143 CONECT 1165 1143 MASTER 0 0 0 0 0 0 0 0 1164 1 27 9 END
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Related entries of code: 5ii1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5fh6
RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh7
RCSB PDB
PDBbind
124aa, >5FH7_1|Chains... at 100%
5fh8
RCSB PDB
PDBbind
124aa, >5FH8_1|Chains... at 100%
5hrv
RCSB PDB
PDBbind
124aa, >5HRV_1|Chain... at 100%
5hrw
RCSB PDB
PDBbind
124aa, >5HRW_1|Chains... at 100%
5hrx
RCSB PDB
PDBbind
124aa, >5HRX_1|Chains... at 100%
5ii2
RCSB PDB
PDBbind
124aa, >5II2_1|Chains... at 100%
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
5ii1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fifth bromodomain of human PB1
Ligand Name
6BL
EC.Number
E.C.-.-.-.-
Resolution
2.02(Å)
Affinity (Kd/Ki/IC50)
Kd=3.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8787-8803
Ligand Properties
Formula
C
1
1
H
8
N
2
O
2
Molecular Weight
200.193
Exact Mass
200.059
No. of atoms
23
No. of bonds
25
Polar Surface Area
58.89
LOGP Value
2.06 (
Computed with XLOGP3
)
1.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Cc1n[nH]c2c1c1ccccc1c(=O)o2
InChI String
InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)
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):
Q86U86
Entrez Gene ID
NCBI Entrez Gene ID:
55193
ASD
Information of known allosteric effects of PDB entries
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