Browse entries in the PDBbind-CN Database
HEADER 5O55_COMPLEX COMPND 5O55_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 GLU MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS SEQRES 2 A 89 THR LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE SEQRES 3 A 89 PHE SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR SEQRES 4 A 89 LEU ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET SEQRES 5 A 89 LYS GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP SEQRES 6 A 89 ASP PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS SEQRES 7 A 89 LEU LYS TYR ASN ALA LYS ASP THR ILE PHE TYR SEQRES 1 A 23 ALA ALA VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU SEQRES 2 A 23 ARG GLN ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 257 49 ATOM 1 N GLU A 627 23.043 -48.110 -3.491 1.00 72.81 N ATOM 2 CA GLU A 627 22.955 -46.668 -3.700 1.00 69.99 C ATOM 3 C GLU A 627 23.944 -45.908 -2.815 1.00 71.40 C ATOM 4 O GLU A 627 25.154 -46.110 -2.924 1.00 76.48 O ATOM 5 CB GLU A 627 21.526 -46.175 -3.467 1.00 69.40 C ATOM 6 CG GLU A 627 21.173 -44.918 -4.245 1.00 64.37 C ATOM 7 CD GLU A 627 20.088 -44.108 -3.569 1.00 62.95 C ATOM 8 OE1 GLU A 627 19.404 -43.325 -4.263 1.00 65.00 O ATOM 9 OE2 GLU A 627 19.914 -44.265 -2.342 1.00 56.33 O ATOM 10 HN3 GLU A 627 22.829 -48.329 -2.497 1.00 0.00 H ATOM 11 HN2 GLU A 627 24.004 -48.434 -3.720 1.00 0.00 H ATOM 12 HN1 GLU A 627 22.358 -48.591 -4.108 1.00 0.00 H ATOM 13 N MET A 628 23.441 -45.036 -1.940 1.00 61.56 N ATOM 14 CA MET A 628 24.301 -44.198 -1.117 1.00 56.47 C ATOM 15 C MET A 628 23.957 -44.351 0.360 1.00 50.19 C ATOM 16 O MET A 628 22.891 -44.852 0.735 1.00 43.57 O ATOM 17 CB MET A 628 24.223 -42.719 -1.517 1.00 56.52 C ATOM 18 CG MET A 628 22.843 -42.102 -1.381 1.00 53.11 C ATOM 19 SD MET A 628 22.876 -40.308 -1.572 1.00 54.75 S ATOM 20 CE MET A 628 23.948 -40.132 -2.994 1.00 59.07 C ATOM 21 H MET A 628 22.409 -44.953 -1.843 1.00 0.00 H ATOM 22 N GLN A 629 24.883 -43.900 1.198 1.00 42.50 N ATOM 23 CA GLN A 629 24.731 -43.969 2.641 1.00 33.81 C ATOM 24 C GLN A 629 24.110 -42.689 3.181 1.00 28.88 C ATOM 25 O GLN A 629 24.289 -41.601 2.628 1.00 31.79 O ATOM 26 CB GLN A 629 26.083 -44.209 3.312 1.00 44.58 C ATOM 27 CG GLN A 629 26.576 -45.641 3.189 1.00 57.84 C ATOM 28 CD GLN A 629 28.051 -45.774 3.495 1.00 72.33 C ATOM 29 OE1 GLN A 629 28.888 -45.118 2.872 1.00 73.78 O ATOM 30 NE2 GLN A 629 28.381 -46.628 4.456 1.00 76.20 N ATOM 31 HE22 GLN A 629 27.640 -47.161 4.955 1.00 0.00 H ATOM 32 HE21 GLN A 629 29.380 -46.765 4.710 1.00 0.00 H ATOM 33 H GLN A 629 25.751 -43.481 0.806 1.00 0.00 H ATOM 34 N LEU A 630 23.388 -42.831 4.292 1.00 32.18 N ATOM 35 CA LEU A 630 22.625 -41.716 4.838 1.00 28.34 C ATOM 36 C LEU A 630 23.535 -40.616 5.370 1.00 26.73 C ATOM 37 O LEU A 630 23.367 -39.446 5.015 1.00 26.30 O ATOM 38 CB LEU A 630 21.691 -42.213 5.943 1.00 33.17 C ATOM 39 CG LEU A 630 20.848 -41.097 6.566 1.00 37.71 C ATOM 40 CD1 LEU A 630 19.900 -40.477 5.550 1.00 43.73 C ATOM 41 CD2 LEU A 630 20.105 -41.575 7.809 1.00 52.20 C ATOM 42 H LEU A 630 23.369 -43.751 4.776 1.00 0.00 H ATOM 43 N THR A 631 24.499 -40.972 6.225 1.00 32.09 N ATOM 44 CA THR A 631 25.278 -39.954 6.934 1.00 31.70 C ATOM 45 C THR A 631 25.998 -38.981 6.010 1.00 26.83 C ATOM 46 O THR A 631 25.851 -37.761 6.208 1.00 29.11 O ATOM 47 CB THR A 631 26.194 -40.615 7.971 1.00 35.45 C ATOM 48 OG1 THR A 631 25.392 -41.126 9.041 1.00 44.48 O ATOM 49 CG2 THR A 631 27.188 -39.606 8.533 1.00 43.16 C ATOM 50 HG1 THR A 631 24.754 -41.794 8.684 1.00 0.00 H ATOM 51 H THR A 631 24.697 -41.980 6.388 1.00 0.00 H ATOM 52 N PRO A 632 26.771 -39.412 5.007 1.00 29.43 N ATOM 53 CA PRO A 632 27.411 -38.427 4.121 1.00 29.78 C ATOM 54 C PRO A 632 26.411 -37.572 3.375 1.00 26.30 C ATOM 55 O PRO A 632 26.670 -36.392 3.115 1.00 25.06 O ATOM 56 CB PRO A 632 28.223 -39.296 3.154 1.00 30.21 C ATOM 57 CG PRO A 632 28.410 -40.589 3.864 1.00 38.34 C ATOM 58 CD PRO A 632 27.146 -40.788 4.639 1.00 32.23 C ATOM 59 N PHE A 633 25.263 -38.136 3.015 1.00 26.06 N ATOM 60 CA PHE A 633 24.255 -37.335 2.337 1.00 22.92 C ATOM 61 C PHE A 633 23.728 -36.226 3.235 1.00 22.03 C ATOM 62 O PHE A 633 23.573 -35.082 2.787 1.00 21.87 O ATOM 63 CB PHE A 633 23.122 -38.240 1.859 1.00 23.37 C ATOM 64 CG PHE A 633 22.047 -37.502 1.110 1.00 22.76 C ATOM 65 CD1 PHE A 633 22.306 -36.975 -0.143 1.00 26.94 C ATOM 66 CD2 PHE A 633 20.788 -37.320 1.669 1.00 26.02 C ATOM 67 CE1 PHE A 633 21.328 -36.279 -0.839 1.00 30.56 C ATOM 68 CE2 PHE A 633 19.797 -36.627 0.968 1.00 23.61 C ATOM 69 CZ PHE A 633 20.075 -36.115 -0.280 1.00 24.77 C ATOM 70 H PHE A 633 25.086 -39.141 3.216 1.00 0.00 H ATOM 71 N LEU A 634 23.449 -36.531 4.502 1.00 22.99 N ATOM 72 CA LEU A 634 22.960 -35.485 5.389 1.00 25.57 C ATOM 73 C LEU A 634 24.032 -34.442 5.663 1.00 25.14 C ATOM 74 O LEU A 634 23.720 -33.255 5.785 1.00 25.03 O ATOM 75 CB LEU A 634 22.414 -36.073 6.687 1.00 30.09 C ATOM 76 CG LEU A 634 21.246 -37.041 6.483 1.00 30.37 C ATOM 77 CD1 LEU A 634 20.882 -37.702 7.805 1.00 41.77 C ATOM 78 CD2 LEU A 634 20.052 -36.324 5.840 1.00 33.16 C ATOM 79 H LEU A 634 23.579 -37.502 4.852 1.00 0.00 H ATOM 80 N ILE A 635 25.294 -34.867 5.776 1.00 25.25 N ATOM 81 CA ILE A 635 26.383 -33.902 5.910 1.00 25.88 C ATOM 82 C ILE A 635 26.389 -32.949 4.726 1.00 22.88 C ATOM 83 O ILE A 635 26.538 -31.731 4.893 1.00 25.10 O ATOM 84 CB ILE A 635 27.730 -34.626 6.084 1.00 27.58 C ATOM 85 CG1 ILE A 635 27.787 -35.285 7.458 1.00 29.79 C ATOM 86 CG2 ILE A 635 28.891 -33.650 5.903 1.00 26.08 C ATOM 87 CD1 ILE A 635 28.933 -36.260 7.633 1.00 31.24 C ATOM 88 H ILE A 635 25.501 -35.886 5.769 1.00 0.00 H ATOM 89 N LEU A 636 26.211 -33.484 3.514 1.00 22.04 N ATOM 90 CA LEU A 636 26.176 -32.644 2.320 1.00 22.14 C ATOM 91 C LEU A 636 24.990 -31.691 2.342 1.00 20.57 C ATOM 92 O LEU A 636 25.134 -30.507 2.011 1.00 21.84 O ATOM 93 CB LEU A 636 26.152 -33.516 1.061 1.00 24.30 C ATOM 94 CG LEU A 636 25.853 -32.768 -0.240 1.00 22.73 C ATOM 95 CD1 LEU A 636 26.965 -31.783 -0.564 1.00 24.29 C ATOM 96 CD2 LEU A 636 25.647 -33.743 -1.385 1.00 28.68 C ATOM 97 H LEU A 636 26.096 -34.513 3.420 1.00 0.00 H ATOM 98 N LEU A 637 23.805 -32.182 2.716 1.00 21.03 N ATOM 99 CA LEU A 637 22.654 -31.287 2.777 1.00 22.12 C ATOM 100 C LEU A 637 22.863 -30.197 3.816 1.00 22.20 C ATOM 101 O LEU A 637 22.464 -29.049 3.593 1.00 21.22 O ATOM 102 CB LEU A 637 21.364 -32.060 3.055 1.00 21.95 C ATOM 103 CG LEU A 637 20.856 -32.998 1.960 1.00 23.74 C ATOM 104 CD1 LEU A 637 19.442 -33.393 2.304 1.00 23.84 C ATOM 105 CD2 LEU A 637 20.892 -32.334 0.595 1.00 23.39 C ATOM 106 H LEU A 637 23.704 -33.188 2.960 1.00 0.00 H ATOM 107 N ARG A 638 23.487 -30.530 4.955 1.00 22.57 N ATOM 108 CA ARG A 638 23.752 -29.521 5.977 1.00 24.48 C ATOM 109 C ARG A 638 24.654 -28.427 5.429 1.00 23.16 C ATOM 110 O ARG A 638 24.389 -27.232 5.617 1.00 24.26 O ATOM 111 CB ARG A 638 24.394 -30.172 7.204 1.00 26.17 C ATOM 112 CG ARG A 638 23.407 -30.960 8.048 1.00 27.99 C ATOM 113 CD ARG A 638 24.086 -31.585 9.268 1.00 31.29 C ATOM 114 NE ARG A 638 23.216 -32.579 9.883 1.00 32.46 N ATOM 115 CZ ARG A 638 23.464 -33.884 9.916 1.00 34.93 C ATOM 116 NH1 ARG A 638 24.583 -34.366 9.392 1.00 37.57 N ATOM 117 NH2 ARG A 638 22.595 -34.704 10.491 1.00 43.98 N ATOM 118 HE ARG A 638 22.338 -32.243 10.328 1.00 0.00 H ATOM 119 HH12 ARG A 638 24.772 -35.388 9.420 1.00 0.00 H ATOM 120 HH11 ARG A 638 25.271 -33.722 8.953 1.00 0.00 H ATOM 121 HH22 ARG A 638 22.785 -35.726 10.519 1.00 0.00 H ATOM 122 HH21 ARG A 638 21.724 -34.325 10.914 1.00 0.00 H ATOM 123 H ARG A 638 23.785 -31.514 5.112 1.00 0.00 H ATOM 124 N LYS A 639 25.726 -28.822 4.738 1.00 21.44 N ATOM 125 CA LYS A 639 26.642 -27.856 4.142 1.00 22.28 C ATOM 126 C LYS A 639 25.951 -27.030 3.074 1.00 23.01 C ATOM 127 O LYS A 639 26.156 -25.808 2.984 1.00 22.62 O ATOM 128 CB LYS A 639 27.834 -28.602 3.543 1.00 24.49 C ATOM 129 CG LYS A 639 28.847 -27.709 2.855 1.00 28.50 C ATOM 130 CD LYS A 639 29.933 -28.545 2.195 1.00 36.45 C ATOM 131 CE LYS A 639 30.865 -27.680 1.360 1.00 45.54 C ATOM 132 NZ LYS A 639 31.956 -28.484 0.733 1.00 51.12 N ATOM 133 HZ1 LYS A 639 32.517 -28.945 1.478 1.00 0.00 H ATOM 134 HZ2 LYS A 639 31.539 -29.208 0.113 1.00 0.00 H ATOM 135 HZ3 LYS A 639 32.569 -27.857 0.173 1.00 0.00 H ATOM 136 H LYS A 639 25.912 -29.839 4.622 1.00 0.00 H ATOM 137 N THR A 640 25.131 -27.683 2.249 1.00 21.59 N ATOM 138 CA THR A 640 24.424 -26.976 1.188 1.00 20.36 C ATOM 139 C THR A 640 23.440 -25.974 1.763 1.00 19.52 C ATOM 140 O THR A 640 23.326 -24.850 1.260 1.00 20.39 O ATOM 141 CB THR A 640 23.693 -27.982 0.297 1.00 20.41 C ATOM 142 OG1 THR A 640 24.627 -28.981 -0.142 1.00 22.37 O ATOM 143 CG2 THR A 640 23.063 -27.288 -0.923 1.00 21.08 C ATOM 144 HG1 THR A 640 25.006 -29.445 0.646 1.00 0.00 H ATOM 145 H THR A 640 24.995 -28.708 2.364 1.00 0.00 H ATOM 146 N LEU A 641 22.701 -26.370 2.803 1.00 21.61 N ATOM 147 CA LEU A 641 21.781 -25.437 3.438 1.00 21.70 C ATOM 148 C LEU A 641 22.530 -24.228 3.989 1.00 21.48 C ATOM 149 O LEU A 641 22.082 -23.087 3.824 1.00 22.06 O ATOM 150 CB LEU A 641 20.982 -26.143 4.534 1.00 22.45 C ATOM 151 CG LEU A 641 19.896 -25.330 5.231 1.00 24.11 C ATOM 152 CD1 LEU A 641 18.858 -24.821 4.244 1.00 25.35 C ATOM 153 CD2 LEU A 641 19.241 -26.175 6.316 1.00 28.09 C ATOM 154 H LEU A 641 22.783 -27.344 3.159 1.00 0.00 H ATOM 155 N GLU A 642 23.691 -24.450 4.614 1.00 21.58 N ATOM 156 CA GLU A 642 24.494 -23.321 5.084 1.00 23.22 C ATOM 157 C GLU A 642 24.903 -22.419 3.926 1.00 23.29 C ATOM 158 O GLU A 642 24.865 -21.186 4.043 1.00 24.78 O ATOM 159 CB GLU A 642 25.729 -23.832 5.815 1.00 25.10 C ATOM 160 CG GLU A 642 25.430 -24.529 7.131 1.00 34.57 C ATOM 161 CD GLU A 642 26.690 -24.916 7.885 1.00 65.69 C ATOM 162 OE1 GLU A 642 27.663 -25.360 7.239 1.00 72.58 O ATOM 163 OE2 GLU A 642 26.707 -24.775 9.125 1.00 78.01 O ATOM 164 H GLU A 642 24.023 -25.424 4.766 1.00 0.00 H ATOM 165 N GLN A 643 25.297 -23.009 2.796 1.00 21.96 N ATOM 166 CA GLN A 643 25.680 -22.202 1.637 1.00 23.42 C ATOM 167 C GLN A 643 24.509 -21.390 1.100 1.00 19.93 C ATOM 168 O GLN A 643 24.683 -20.247 0.660 1.00 22.17 O ATOM 169 CB GLN A 643 26.265 -23.100 0.545 1.00 22.25 C ATOM 170 CG GLN A 643 27.589 -23.731 0.946 1.00 25.22 C ATOM 171 CD GLN A 643 28.089 -24.736 -0.065 1.00 26.34 C ATOM 172 OE1 GLN A 643 27.302 -25.430 -0.705 1.00 26.17 O ATOM 173 NE2 GLN A 643 29.409 -24.839 -0.196 1.00 32.96 N ATOM 174 HE22 GLN A 643 30.037 -24.230 0.367 1.00 0.00 H ATOM 175 HE21 GLN A 643 29.813 -25.528 -0.861 1.00 0.00 H ATOM 176 H GLN A 643 25.332 -24.047 2.739 1.00 0.00 H ATOM 177 N LEU A 644 23.309 -21.959 1.108 1.00 20.82 N ATOM 178 CA LEU A 644 22.145 -21.210 0.646 1.00 20.00 C ATOM 179 C LEU A 644 21.830 -20.061 1.590 1.00 21.33 C ATOM 180 O LEU A 644 21.551 -18.938 1.143 1.00 21.40 O ATOM 181 CB LEU A 644 20.940 -22.144 0.542 1.00 21.81 C ATOM 182 CG LEU A 644 21.050 -23.229 -0.526 1.00 20.84 C ATOM 183 CD1 LEU A 644 19.896 -24.215 -0.396 1.00 21.90 C ATOM 184 CD2 LEU A 644 21.029 -22.615 -1.910 1.00 21.96 C ATOM 185 H LEU A 644 23.199 -22.937 1.443 1.00 0.00 H ATOM 186 N GLN A 645 21.885 -20.313 2.895 1.00 22.06 N ATOM 187 CA GLN A 645 21.634 -19.239 3.847 1.00 25.19 C ATOM 188 C GLN A 645 22.644 -18.121 3.695 1.00 25.07 C ATOM 189 O GLN A 645 22.304 -16.953 3.914 1.00 28.00 O ATOM 190 CB GLN A 645 21.638 -19.761 5.282 1.00 26.35 C ATOM 191 CG GLN A 645 20.576 -20.784 5.528 1.00 29.31 C ATOM 192 CD GLN A 645 20.046 -20.747 6.940 1.00 39.59 C ATOM 193 OE1 GLN A 645 20.071 -21.754 7.644 1.00 39.99 O ATOM 194 NE2 GLN A 645 19.542 -19.587 7.358 1.00 36.08 N ATOM 195 HE22 GLN A 645 19.543 -18.762 6.725 1.00 0.00 H ATOM 196 HE21 GLN A 645 19.148 -19.507 8.317 1.00 0.00 H ATOM 197 H GLN A 645 22.106 -21.271 3.234 1.00 0.00 H ATOM 198 N GLU A 646 23.887 -18.446 3.317 1.00 23.48 N ATOM 199 CA GLU A 646 24.897 -17.410 3.123 1.00 24.90 C ATOM 200 C GLU A 646 24.515 -16.451 2.006 1.00 25.70 C ATOM 201 O GLU A 646 24.934 -15.288 2.027 1.00 26.97 O ATOM 202 CB GLU A 646 26.258 -18.035 2.813 1.00 27.49 C ATOM 203 CG GLU A 646 27.009 -18.554 4.023 1.00 34.17 C ATOM 204 CD GLU A 646 28.201 -19.410 3.632 1.00 54.12 C ATOM 205 OE1 GLU A 646 28.606 -20.275 4.438 1.00 61.05 O ATOM 206 OE2 GLU A 646 28.722 -19.226 2.509 1.00 55.60 O ATOM 207 H GLU A 646 24.135 -19.444 3.161 1.00 0.00 H ATOM 208 N LYS A 647 23.735 -16.909 1.024 1.00 23.33 N ATOM 209 CA LYS A 647 23.278 -16.028 -0.050 1.00 22.81 C ATOM 210 C LYS A 647 22.132 -15.118 0.375 1.00 27.12 C ATOM 211 O LYS A 647 21.883 -14.102 -0.295 1.00 28.87 O ATOM 212 CB LYS A 647 22.872 -16.837 -1.286 1.00 23.36 C ATOM 213 CG LYS A 647 23.936 -17.802 -1.777 1.00 24.83 C ATOM 214 CD LYS A 647 25.227 -17.074 -2.090 1.00 29.47 C ATOM 215 CE LYS A 647 26.183 -17.972 -2.851 1.00 33.34 C ATOM 216 NZ LYS A 647 27.437 -17.261 -3.162 1.00 36.44 N ATOM 217 HZ1 LYS A 647 27.225 -16.426 -3.745 1.00 0.00 H ATOM 218 HZ2 LYS A 647 27.892 -16.960 -2.277 1.00 0.00 H ATOM 219 HZ3 LYS A 647 28.074 -17.897 -3.683 1.00 0.00 H ATOM 220 H LYS A 647 23.448 -17.909 1.023 1.00 0.00 H ATOM 221 N ASP A 648 21.469 -15.427 1.487 1.00 23.44 N ATOM 222 CA ASP A 648 20.394 -14.606 2.043 1.00 24.96 C ATOM 223 C ASP A 648 21.018 -13.696 3.092 1.00 23.65 C ATOM 224 O ASP A 648 20.958 -13.934 4.298 1.00 26.18 O ATOM 225 CB ASP A 648 19.334 -15.516 2.648 1.00 21.64 C ATOM 226 CG ASP A 648 18.259 -14.766 3.421 1.00 27.31 C ATOM 227 OD1 ASP A 648 18.044 -13.552 3.184 1.00 26.61 O ATOM 228 OD2 ASP A 648 17.638 -15.409 4.297 1.00 26.47 O ATOM 229 H ASP A 648 21.730 -16.300 1.988 1.00 0.00 H ATOM 230 N THR A 649 21.628 -12.608 2.613 1.00 26.07 N ATOM 231 CA THR A 649 22.438 -11.784 3.507 1.00 30.10 C ATOM 232 C THR A 649 21.590 -10.996 4.501 1.00 26.87 C ATOM 233 O THR A 649 22.055 -10.704 5.615 1.00 30.24 O ATOM 234 CB THR A 649 23.314 -10.826 2.706 1.00 31.06 C ATOM 235 OG1 THR A 649 22.475 -9.971 1.929 1.00 30.12 O ATOM 236 CG2 THR A 649 24.269 -11.584 1.791 1.00 28.03 C ATOM 237 HG1 THR A 649 23.037 -9.346 1.406 1.00 0.00 H ATOM 238 H THR A 649 21.527 -12.350 1.611 1.00 0.00 H ATOM 239 N GLY A 650 20.360 -10.641 4.121 1.00 29.38 N ATOM 240 CA GLY A 650 19.449 -9.998 5.050 1.00 30.55 C ATOM 241 C GLY A 650 18.773 -10.931 6.022 1.00 33.31 C ATOM 242 O GLY A 650 18.076 -10.461 6.929 1.00 33.61 O ATOM 243 H GLY A 650 20.051 -10.828 3.146 1.00 0.00 H ATOM 244 N ASN A 651 18.960 -12.241 5.850 1.00 28.70 N ATOM 245 CA ASN A 651 18.312 -13.248 6.691 1.00 31.13 C ATOM 246 C ASN A 651 16.793 -13.148 6.620 1.00 30.03 C ATOM 247 O ASN A 651 16.086 -13.515 7.565 1.00 33.31 O ATOM 248 CB ASN A 651 18.813 -13.224 8.141 1.00 33.49 C ATOM 249 CG ASN A 651 20.202 -13.807 8.284 1.00 35.55 C ATOM 250 OD1 ASN A 651 20.570 -14.737 7.565 1.00 40.19 O ATOM 251 ND2 ASN A 651 20.974 -13.280 9.225 1.00 46.21 N ATOM 252 HD22 ASN A 651 20.620 -12.495 9.808 1.00 0.00 H ATOM 253 HD21 ASN A 651 21.933 -13.652 9.379 1.00 0.00 H ATOM 254 H ASN A 651 19.592 -12.559 5.088 1.00 0.00 H ATOM 255 N ILE A 652 16.277 -12.650 5.496 1.00 29.20 N ATOM 256 CA ILE A 652 14.831 -12.505 5.358 1.00 27.91 C ATOM 257 C ILE A 652 14.141 -13.825 5.084 1.00 23.87 C ATOM 258 O ILE A 652 12.918 -13.904 5.233 1.00 27.37 O ATOM 259 CB ILE A 652 14.430 -11.466 4.298 1.00 25.16 C ATOM 260 CG1 ILE A 652 14.899 -11.901 2.917 1.00 26.37 C ATOM 261 CG2 ILE A 652 15.011 -10.106 4.655 1.00 29.93 C ATOM 262 CD1 ILE A 652 14.440 -10.958 1.825 1.00 32.73 C ATOM 263 H ILE A 652 16.905 -12.365 4.717 1.00 0.00 H ATOM 264 N PHE A 653 14.889 -14.860 4.700 1.00 23.24 N ATOM 265 CA PHE A 653 14.346 -16.199 4.496 1.00 21.60 C ATOM 266 C PHE A 653 14.745 -17.160 5.614 1.00 24.17 C ATOM 267 O PHE A 653 14.523 -18.371 5.485 1.00 23.11 O ATOM 268 CB PHE A 653 14.790 -16.751 3.133 1.00 20.88 C ATOM 269 CG PHE A 653 14.425 -15.868 1.964 1.00 20.76 C ATOM 270 CD1 PHE A 653 13.101 -15.731 1.571 1.00 21.14 C ATOM 271 CD2 PHE A 653 15.409 -15.182 1.266 1.00 24.55 C ATOM 272 CE1 PHE A 653 12.763 -14.936 0.495 1.00 23.29 C ATOM 273 CE2 PHE A 653 15.077 -14.358 0.184 1.00 22.18 C ATOM 274 CZ PHE A 653 13.754 -14.248 -0.200 1.00 22.70 C ATOM 275 H PHE A 653 15.905 -14.706 4.539 1.00 0.00 H ATOM 276 N SER A 654 15.297 -16.654 6.718 1.00 22.92 N ATOM 277 CA SER A 654 15.855 -17.532 7.741 1.00 25.84 C ATOM 278 C SER A 654 14.787 -18.133 8.642 1.00 29.28 C ATOM 279 O SER A 654 15.007 -19.203 9.214 1.00 29.41 O ATOM 280 CB SER A 654 16.879 -16.778 8.591 1.00 30.11 C ATOM 281 OG SER A 654 17.966 -16.321 7.807 1.00 33.99 O ATOM 282 HG SER A 654 18.416 -17.096 7.386 1.00 0.00 H ATOM 283 H SER A 654 15.330 -15.623 6.851 1.00 0.00 H ATOM 284 N GLU A 655 13.649 -17.471 8.786 1.00 26.59 N ATOM 285 CA GLU A 655 12.595 -17.904 9.686 1.00 29.08 C ATOM 286 C GLU A 655 11.269 -17.775 8.960 1.00 27.77 C ATOM 287 O GLU A 655 11.181 -17.080 7.941 1.00 27.41 O ATOM 288 CB GLU A 655 12.580 -17.032 10.950 1.00 35.14 C ATOM 289 CG GLU A 655 13.841 -17.136 11.781 1.00 38.65 C ATOM 290 CD GLU A 655 13.708 -16.430 13.114 1.00 54.33 C ATOM 291 OE1 GLU A 655 13.016 -15.391 13.164 1.00 55.38 O ATOM 292 OE2 GLU A 655 14.294 -16.913 14.106 1.00 60.12 O ATOM 293 H GLU A 655 13.504 -16.604 8.231 1.00 0.00 H ATOM 294 N PRO A 656 10.221 -18.446 9.441 1.00 30.77 N ATOM 295 CA PRO A 656 8.914 -18.322 8.787 1.00 27.82 C ATOM 296 C PRO A 656 8.478 -16.868 8.712 1.00 33.18 C ATOM 297 O PRO A 656 8.774 -16.066 9.599 1.00 32.19 O ATOM 298 CB PRO A 656 7.983 -19.141 9.692 1.00 32.63 C ATOM 299 CG PRO A 656 8.879 -20.128 10.365 1.00 35.12 C ATOM 300 CD PRO A 656 10.209 -19.442 10.532 1.00 28.70 C ATOM 301 N VAL A 657 7.802 -16.526 7.618 1.00 30.27 N ATOM 302 CA VAL A 657 7.233 -15.179 7.514 1.00 32.68 C ATOM 303 C VAL A 657 6.325 -14.945 8.713 1.00 31.54 C ATOM 304 O VAL A 657 5.458 -15.789 9.007 1.00 35.98 O ATOM 305 CB VAL A 657 6.459 -15.027 6.196 1.00 31.54 C ATOM 306 CG1 VAL A 657 5.735 -13.686 6.145 1.00 35.11 C ATOM 307 CG2 VAL A 657 7.410 -15.193 4.998 1.00 26.60 C ATOM 308 H VAL A 657 7.678 -17.209 6.843 1.00 0.00 H ATOM 309 N PRO A 658 6.503 -13.866 9.456 1.00 37.41 N ATOM 310 CA PRO A 658 5.709 -13.674 10.677 1.00 40.50 C ATOM 311 C PRO A 658 4.258 -13.330 10.385 1.00 42.95 C ATOM 312 O PRO A 658 3.952 -12.223 9.926 1.00 41.99 O ATOM 313 CB PRO A 658 6.436 -12.523 11.382 1.00 39.95 C ATOM 314 CG PRO A 658 7.064 -11.753 10.271 1.00 40.60 C ATOM 315 CD PRO A 658 7.494 -12.794 9.264 1.00 39.80 C ATOM 316 N LEU A 659 3.353 -14.277 10.650 1.00 47.39 N ATOM 317 CA LEU A 659 1.934 -14.026 10.429 1.00 51.82 C ATOM 318 C LEU A 659 1.406 -12.911 11.319 1.00 60.21 C ATOM 319 O LEU A 659 0.398 -12.284 10.976 1.00 56.96 O ATOM 320 CB LEU A 659 1.123 -15.305 10.645 1.00 55.82 C ATOM 321 CG LEU A 659 1.599 -16.554 9.901 1.00 56.01 C ATOM 322 CD1 LEU A 659 0.743 -17.751 10.277 1.00 60.60 C ATOM 323 CD2 LEU A 659 1.575 -16.331 8.397 1.00 52.25 C ATOM 324 H LEU A 659 3.663 -15.200 11.016 1.00 0.00 H ATOM 325 N SER A 660 2.067 -12.651 12.451 1.00 68.18 N ATOM 326 CA SER A 660 1.689 -11.519 13.289 1.00 74.00 C ATOM 327 C SER A 660 1.765 -10.211 12.511 1.00 68.15 C ATOM 328 O SER A 660 0.947 -9.309 12.717 1.00 65.64 O ATOM 329 CB SER A 660 2.596 -11.461 14.519 1.00 74.15 C ATOM 330 OG SER A 660 3.884 -10.974 14.177 1.00 73.12 O ATOM 331 HG SER A 660 4.451 -10.946 14.988 1.00 0.00 H ATOM 332 H SER A 660 2.859 -13.262 12.737 1.00 0.00 H ATOM 333 N GLU A 661 2.736 -10.096 11.605 1.00 59.51 N ATOM 334 CA GLU A 661 2.903 -8.893 10.802 1.00 56.37 C ATOM 335 C GLU A 661 2.372 -9.033 9.382 1.00 51.65 C ATOM 336 O GLU A 661 2.156 -8.015 8.716 1.00 51.34 O ATOM 337 CB GLU A 661 4.379 -8.479 10.758 1.00 68.01 C ATOM 338 CG GLU A 661 5.039 -8.433 12.125 1.00 83.71 C ATOM 339 CD GLU A 661 5.191 -7.018 12.648 1.00 94.82 C ATOM 340 OE1 GLU A 661 4.967 -6.803 13.858 1.00100.87 O ATOM 341 OE2 GLU A 661 5.533 -6.122 11.848 1.00 96.79 O ATOM 342 H GLU A 661 3.394 -10.889 11.468 1.00 0.00 H ATOM 343 N VAL A 662 2.166 -10.255 8.903 1.00 50.66 N ATOM 344 CA VAL A 662 1.566 -10.483 7.590 1.00 46.23 C ATOM 345 C VAL A 662 0.324 -11.344 7.782 1.00 46.19 C ATOM 346 O VAL A 662 0.352 -12.543 7.472 1.00 44.08 O ATOM 347 CB VAL A 662 2.558 -11.148 6.623 1.00 39.82 C ATOM 348 CG1 VAL A 662 2.031 -11.050 5.203 1.00 37.35 C ATOM 349 CG2 VAL A 662 3.931 -10.503 6.737 1.00 41.43 C ATOM 350 H VAL A 662 2.440 -11.075 9.481 1.00 0.00 H ATOM 351 N PRO A 663 -0.784 -10.783 8.278 1.00 51.14 N ATOM 352 CA PRO A 663 -1.923 -11.630 8.671 1.00 43.64 C ATOM 353 C PRO A 663 -2.622 -12.327 7.517 1.00 46.80 C ATOM 354 O PRO A 663 -3.330 -13.313 7.758 1.00 55.05 O ATOM 355 CB PRO A 663 -2.867 -10.650 9.384 1.00 51.52 C ATOM 356 CG PRO A 663 -2.007 -9.475 9.742 1.00 56.64 C ATOM 357 CD PRO A 663 -1.000 -9.374 8.643 1.00 56.01 C ATOM 358 N ASP A 664 -2.464 -11.856 6.281 1.00 43.99 N ATOM 359 CA ASP A 664 -3.111 -12.475 5.132 1.00 43.91 C ATOM 360 C ASP A 664 -2.207 -13.462 4.404 1.00 42.46 C ATOM 361 O ASP A 664 -2.582 -13.960 3.338 1.00 42.93 O ATOM 362 CB ASP A 664 -3.641 -11.406 4.171 1.00 47.00 C ATOM 363 CG ASP A 664 -2.535 -10.698 3.402 1.00 50.43 C ATOM 364 OD1 ASP A 664 -1.357 -10.769 3.815 1.00 48.03 O ATOM 365 OD2 ASP A 664 -2.853 -10.050 2.384 1.00 49.42 O ATOM 366 H ASP A 664 -1.861 -11.022 6.132 1.00 0.00 H ATOM 367 N TYR A 665 -1.032 -13.760 4.963 1.00 40.15 N ATOM 368 CA TYR A 665 -0.037 -14.552 4.245 1.00 38.16 C ATOM 369 C TYR A 665 -0.575 -15.929 3.875 1.00 38.50 C ATOM 370 O TYR A 665 -0.428 -16.378 2.732 1.00 38.36 O ATOM 371 CB TYR A 665 1.235 -14.677 5.080 1.00 39.41 C ATOM 372 CG TYR A 665 2.405 -15.222 4.294 1.00 32.16 C ATOM 373 CD1 TYR A 665 3.009 -14.461 3.301 1.00 28.80 C ATOM 374 CD2 TYR A 665 2.896 -16.496 4.535 1.00 35.33 C ATOM 375 CE1 TYR A 665 4.079 -14.951 2.567 1.00 27.18 C ATOM 376 CE2 TYR A 665 3.965 -17.000 3.810 1.00 32.27 C ATOM 377 CZ TYR A 665 4.552 -16.223 2.829 1.00 26.42 C ATOM 378 OH TYR A 665 5.617 -16.726 2.113 1.00 26.08 O ATOM 379 HH TYR A 665 5.919 -16.051 1.455 1.00 0.00 H ATOM 380 H TYR A 665 -0.822 -13.423 5.924 1.00 0.00 H ATOM 381 N LEU A 666 -1.210 -16.612 4.831 1.00 43.37 N ATOM 382 CA LEU A 666 -1.725 -17.955 4.595 1.00 48.45 C ATOM 383 C LEU A 666 -2.944 -17.977 3.682 1.00 50.68 C ATOM 384 O LEU A 666 -3.331 -19.056 3.225 1.00 47.66 O ATOM 385 CB LEU A 666 -2.060 -18.638 5.920 1.00 54.60 C ATOM 386 CG LEU A 666 -0.865 -19.158 6.709 1.00 52.05 C ATOM 387 CD1 LEU A 666 -1.323 -19.858 7.981 1.00 52.48 C ATOM 388 CD2 LEU A 666 -0.054 -20.096 5.837 1.00 55.23 C ATOM 389 H LEU A 666 -1.340 -16.175 5.766 1.00 0.00 H ATOM 390 N ASP A 667 -3.563 -16.827 3.414 1.00 49.39 N ATOM 391 CA ASP A 667 -4.636 -16.794 2.430 1.00 54.95 C ATOM 392 C ASP A 667 -4.116 -17.004 1.018 1.00 48.66 C ATOM 393 O ASP A 667 -4.873 -17.460 0.155 1.00 50.49 O ATOM 394 CB ASP A 667 -5.408 -15.476 2.520 1.00 63.65 C ATOM 395 CG ASP A 667 -6.001 -15.243 3.895 1.00 80.80 C ATOM 396 OD1 ASP A 667 -6.097 -14.070 4.310 1.00 86.48 O ATOM 397 OD2 ASP A 667 -6.368 -16.231 4.564 1.00 88.36 O ATOM 398 H ASP A 667 -3.280 -15.956 3.906 1.00 0.00 H ATOM 399 N HIS A 668 -2.841 -16.702 0.772 1.00 39.74 N ATOM 400 CA HIS A 668 -2.247 -16.802 -0.553 1.00 42.00 C ATOM 401 C HIS A 668 -1.210 -17.904 -0.675 1.00 37.76 C ATOM 402 O HIS A 668 -1.017 -18.434 -1.771 1.00 44.95 O ATOM 403 CB HIS A 668 -1.573 -15.476 -0.935 1.00 41.14 C ATOM 404 CG HIS A 668 -2.420 -14.268 -0.683 1.00 49.77 C ATOM 405 ND1 HIS A 668 -3.333 -13.794 -1.601 1.00 56.88 N ATOM 406 CD2 HIS A 668 -2.494 -13.436 0.383 1.00 53.15 C ATOM 407 CE1 HIS A 668 -3.931 -12.722 -1.112 1.00 55.11 C ATOM 408 NE2 HIS A 668 -3.441 -12.485 0.092 1.00 57.44 N ATOM 409 H HIS A 668 -2.245 -16.381 1.561 1.00 0.00 H ATOM 410 N ILE A 669 -0.547 -18.266 0.416 1.00 38.37 N ATOM 411 CA ILE A 669 0.585 -19.182 0.383 1.00 30.72 C ATOM 412 C ILE A 669 0.155 -20.488 1.039 1.00 36.69 C ATOM 413 O ILE A 669 -0.062 -20.540 2.255 1.00 36.10 O ATOM 414 CB ILE A 669 1.813 -18.577 1.075 1.00 36.71 C ATOM 415 CG1 ILE A 669 2.221 -17.267 0.385 1.00 33.54 C ATOM 416 CG2 ILE A 669 2.943 -19.590 1.119 1.00 34.17 C ATOM 417 CD1 ILE A 669 2.345 -17.379 -1.126 1.00 33.10 C ATOM 418 H ILE A 669 -0.848 -17.879 1.333 1.00 0.00 H ATOM 419 N LYS A 670 0.069 -21.547 0.233 1.00 33.23 N ATOM 420 CA LYS A 670 -0.437 -22.831 0.714 1.00 40.01 C ATOM 421 C LYS A 670 0.579 -23.541 1.604 1.00 34.75 C ATOM 422 O LYS A 670 0.204 -24.180 2.596 1.00 40.50 O ATOM 423 CB LYS A 670 -0.817 -23.711 -0.479 1.00 51.01 C ATOM 424 CG LYS A 670 -0.919 -25.197 -0.168 1.00 55.17 C ATOM 425 H LYS A 670 0.368 -21.457 -0.759 1.00 0.00 H ATOM 426 N LYS A 671 1.865 -23.453 1.271 1.00 31.85 N ATOM 427 CA LYS A 671 2.917 -24.116 2.038 1.00 30.59 C ATOM 428 C LYS A 671 4.056 -23.143 2.290 1.00 29.41 C ATOM 429 O LYS A 671 5.003 -23.060 1.495 1.00 28.56 O ATOM 430 CB LYS A 671 3.430 -25.367 1.331 1.00 32.81 C ATOM 431 CG LYS A 671 4.357 -26.199 2.219 1.00 38.02 C ATOM 432 CD LYS A 671 4.839 -27.463 1.534 1.00 33.76 C ATOM 433 CE LYS A 671 5.960 -28.109 2.333 1.00 42.87 C ATOM 434 NZ LYS A 671 6.588 -29.249 1.605 1.00 54.57 N ATOM 435 HZ1 LYS A 671 5.868 -29.975 1.413 1.00 0.00 H ATOM 436 HZ2 LYS A 671 6.986 -28.908 0.707 1.00 0.00 H ATOM 437 HZ3 LYS A 671 7.346 -29.657 2.189 1.00 0.00 H ATOM 438 H LYS A 671 2.130 -22.893 0.436 1.00 0.00 H ATOM 439 N PRO A 672 4.015 -22.400 3.396 1.00 28.06 N ATOM 440 CA PRO A 672 5.147 -21.541 3.756 1.00 25.79 C ATOM 441 C PRO A 672 6.421 -22.355 3.917 1.00 27.37 C ATOM 442 O PRO A 672 6.393 -23.527 4.295 1.00 29.88 O ATOM 443 CB PRO A 672 4.723 -20.932 5.097 1.00 29.08 C ATOM 444 CG PRO A 672 3.241 -21.064 5.135 1.00 38.16 C ATOM 445 CD PRO A 672 2.896 -22.291 4.353 1.00 30.66 C ATOM 446 N MET A 673 7.550 -21.719 3.619 1.00 25.02 N ATOM 447 CA MET A 673 8.843 -22.364 3.787 1.00 23.14 C ATOM 448 C MET A 673 9.885 -21.307 4.109 1.00 22.12 C ATOM 449 O MET A 673 9.762 -20.144 3.708 1.00 23.71 O ATOM 450 CB MET A 673 9.236 -23.194 2.553 1.00 23.96 C ATOM 451 CG MET A 673 10.435 -24.131 2.739 1.00 25.96 C ATOM 452 SD MET A 673 10.361 -25.215 4.188 1.00 24.99 S ATOM 453 CE MET A 673 8.873 -26.156 3.829 1.00 25.41 C ATOM 454 H MET A 673 7.508 -20.744 3.260 1.00 0.00 H ATOM 455 N ASP A 674 10.909 -21.731 4.840 1.00 23.03 N ATOM 456 CA ASP A 674 12.013 -20.875 5.253 1.00 21.80 C ATOM 457 C ASP A 674 13.168 -21.789 5.638 1.00 22.36 C ATOM 458 O ASP A 674 13.002 -23.005 5.764 1.00 23.53 O ATOM 459 CB ASP A 674 11.595 -20.030 6.445 1.00 25.32 C ATOM 460 CG ASP A 674 11.295 -20.878 7.638 1.00 24.73 C ATOM 461 OD1 ASP A 674 10.144 -21.361 7.741 1.00 29.11 O ATOM 462 OD2 ASP A 674 12.219 -21.108 8.443 1.00 28.67 O ATOM 463 H ASP A 674 10.924 -22.729 5.134 1.00 0.00 H ATOM 464 N PHE A 675 14.344 -21.194 5.856 1.00 20.74 N ATOM 465 CA PHE A 675 15.534 -22.017 6.063 1.00 22.29 C ATOM 466 C PHE A 675 15.555 -22.700 7.427 1.00 24.57 C ATOM 467 O PHE A 675 16.163 -23.770 7.562 1.00 23.69 O ATOM 468 CB PHE A 675 16.795 -21.176 5.912 1.00 20.66 C ATOM 469 CG PHE A 675 17.120 -20.804 4.492 1.00 20.59 C ATOM 470 CD1 PHE A 675 17.162 -21.751 3.486 1.00 21.34 C ATOM 471 CD2 PHE A 675 17.411 -19.496 4.176 1.00 21.27 C ATOM 472 CE1 PHE A 675 17.486 -21.382 2.185 1.00 21.98 C ATOM 473 CE2 PHE A 675 17.730 -19.130 2.892 1.00 22.61 C ATOM 474 CZ PHE A 675 17.781 -20.064 1.901 1.00 21.89 C ATOM 475 H PHE A 675 14.412 -20.156 5.878 1.00 0.00 H ATOM 476 N PHE A 676 14.961 -22.090 8.458 1.00 23.36 N ATOM 477 CA PHE A 676 14.867 -22.762 9.753 1.00 26.05 C ATOM 478 C PHE A 676 14.011 -24.017 9.651 1.00 26.85 C ATOM 479 O PHE A 676 14.383 -25.084 10.159 1.00 27.87 O ATOM 480 CB PHE A 676 14.303 -21.804 10.807 1.00 29.00 C ATOM 481 CG PHE A 676 14.220 -22.397 12.176 1.00 35.56 C ATOM 482 CD1 PHE A 676 15.348 -22.487 12.969 1.00 36.72 C ATOM 483 CD2 PHE A 676 13.018 -22.878 12.666 1.00 37.54 C ATOM 484 CE1 PHE A 676 15.278 -23.039 14.239 1.00 40.63 C ATOM 485 CE2 PHE A 676 12.943 -23.433 13.933 1.00 37.10 C ATOM 486 CZ PHE A 676 14.077 -23.512 14.716 1.00 39.23 C ATOM 487 H PHE A 676 14.565 -21.136 8.338 1.00 0.00 H ATOM 488 N THR A 677 12.857 -23.908 8.993 1.00 25.97 N ATOM 489 CA THR A 677 12.022 -25.082 8.765 1.00 28.35 C ATOM 490 C THR A 677 12.772 -26.136 7.958 1.00 26.10 C ATOM 491 O THR A 677 12.680 -27.332 8.254 1.00 25.54 O ATOM 492 CB THR A 677 10.723 -24.658 8.078 1.00 27.80 C ATOM 493 OG1 THR A 677 10.021 -23.730 8.920 1.00 30.17 O ATOM 494 CG2 THR A 677 9.831 -25.854 7.827 1.00 30.59 C ATOM 495 HG1 THR A 677 9.812 -24.164 9.785 1.00 0.00 H ATOM 496 H THR A 677 12.550 -22.979 8.640 1.00 0.00 H ATOM 497 N MET A 678 13.544 -25.716 6.955 1.00 24.86 N ATOM 498 CA MET A 678 14.330 -26.684 6.195 1.00 23.93 C ATOM 499 C MET A 678 15.332 -27.410 7.081 1.00 27.22 C ATOM 500 O MET A 678 15.528 -28.622 6.937 1.00 24.00 O ATOM 501 CB MET A 678 15.045 -26.004 5.032 1.00 22.36 C ATOM 502 CG MET A 678 14.112 -25.613 3.905 1.00 21.41 C ATOM 503 SD MET A 678 14.992 -25.130 2.405 1.00 21.60 S ATOM 504 CE MET A 678 15.713 -26.712 1.924 1.00 22.53 C ATOM 505 H MET A 678 13.586 -24.705 6.715 1.00 0.00 H ATOM 506 N LYS A 679 15.973 -26.690 8.004 1.00 22.89 N ATOM 507 CA LYS A 679 16.913 -27.333 8.916 1.00 23.27 C ATOM 508 C LYS A 679 16.201 -28.339 9.806 1.00 27.82 C ATOM 509 O LYS A 679 16.708 -29.444 10.029 1.00 29.48 O ATOM 510 CB LYS A 679 17.651 -26.285 9.752 1.00 24.45 C ATOM 511 CG LYS A 679 18.519 -26.880 10.850 1.00 29.07 C ATOM 512 CD LYS A 679 19.763 -27.555 10.290 1.00 34.62 C ATOM 513 CE LYS A 679 20.674 -28.013 11.427 1.00 48.59 C ATOM 514 NZ LYS A 679 21.962 -28.572 10.935 1.00 57.04 N ATOM 515 HZ1 LYS A 679 21.772 -29.393 10.326 1.00 0.00 H ATOM 516 HZ2 LYS A 679 22.469 -27.845 10.391 1.00 0.00 H ATOM 517 HZ3 LYS A 679 22.542 -28.867 11.746 1.00 0.00 H ATOM 518 H LYS A 679 15.802 -25.667 8.073 1.00 0.00 H ATOM 519 N GLN A 680 15.019 -27.980 10.316 1.00 25.28 N ATOM 520 CA GLN A 680 14.242 -28.929 11.109 1.00 29.50 C ATOM 521 C GLN A 680 13.866 -30.155 10.287 1.00 29.55 C ATOM 522 O GLN A 680 13.944 -31.287 10.780 1.00 29.65 O ATOM 523 CB GLN A 680 12.987 -28.263 11.680 1.00 32.04 C ATOM 524 CG GLN A 680 13.211 -26.929 12.381 1.00 50.64 C ATOM 525 CD GLN A 680 14.514 -26.870 13.155 1.00 72.44 C ATOM 526 OE1 GLN A 680 15.390 -26.059 12.853 1.00 81.27 O ATOM 527 NE2 GLN A 680 14.642 -27.720 14.166 1.00 79.22 N ATOM 528 HE22 GLN A 680 13.875 -28.388 14.384 1.00 0.00 H ATOM 529 HE21 GLN A 680 15.509 -27.718 14.740 1.00 0.00 H ATOM 530 H GLN A 680 14.651 -27.022 10.148 1.00 0.00 H ATOM 531 N ASN A 681 13.445 -29.952 9.030 1.00 29.07 N ATOM 532 CA ASN A 681 13.089 -31.092 8.186 1.00 28.69 C ATOM 533 C ASN A 681 14.306 -31.969 7.924 1.00 29.61 C ATOM 534 O ASN A 681 14.212 -33.202 7.955 1.00 31.87 O ATOM 535 CB ASN A 681 12.476 -30.620 6.866 1.00 26.36 C ATOM 536 CG ASN A 681 11.121 -29.964 7.041 1.00 29.65 C ATOM 537 OD1 ASN A 681 10.444 -30.162 8.051 1.00 32.64 O ATOM 538 ND2 ASN A 681 10.709 -29.186 6.046 1.00 31.20 N ATOM 539 HD22 ASN A 681 11.313 -29.046 5.211 1.00 0.00 H ATOM 540 HD21 ASN A 681 9.783 -28.717 6.102 1.00 0.00 H ATOM 541 H ASN A 681 13.372 -28.984 8.656 1.00 0.00 H ATOM 542 N LEU A 682 15.460 -31.348 7.686 1.00 27.75 N ATOM 543 CA LEU A 682 16.690 -32.093 7.441 1.00 24.57 C ATOM 544 C LEU A 682 17.005 -33.017 8.608 1.00 31.48 C ATOM 545 O LEU A 682 17.222 -34.220 8.422 1.00 32.65 O ATOM 546 CB LEU A 682 17.839 -31.107 7.197 1.00 25.37 C ATOM 547 CG LEU A 682 19.156 -31.608 6.593 1.00 26.45 C ATOM 548 CD1 LEU A 682 19.976 -30.412 6.142 1.00 26.73 C ATOM 549 CD2 LEU A 682 19.987 -32.445 7.550 1.00 33.13 C ATOM 550 H LEU A 682 15.485 -30.308 7.675 1.00 0.00 H ATOM 551 N GLU A 683 17.028 -32.469 9.822 1.00 32.20 N ATOM 552 CA GLU A 683 17.379 -33.258 10.996 1.00 35.32 C ATOM 553 C GLU A 683 16.279 -34.227 11.395 1.00 39.74 C ATOM 554 O GLU A 683 16.554 -35.193 12.120 1.00 39.79 O ATOM 555 CB GLU A 683 17.746 -32.339 12.161 1.00 43.60 C ATOM 556 CG GLU A 683 18.855 -31.354 11.839 1.00 46.83 C ATOM 557 CD GLU A 683 20.166 -32.028 11.456 1.00 44.97 C ATOM 558 OE1 GLU A 683 20.342 -33.239 11.722 1.00 41.59 O ATOM 559 OE2 GLU A 683 21.028 -31.341 10.878 1.00 39.25 O ATOM 560 H GLU A 683 16.792 -31.462 9.934 1.00 0.00 H ATOM 561 N ALA A 684 15.048 -33.998 10.945 1.00 35.37 N ATOM 562 CA ALA A 684 13.984 -34.973 11.146 1.00 41.24 C ATOM 563 C ALA A 684 13.996 -36.067 10.094 1.00 40.39 C ATOM 564 O ALA A 684 13.065 -36.880 10.056 1.00 44.25 O ATOM 565 CB ALA A 684 12.616 -34.286 11.181 1.00 37.84 C ATOM 566 H ALA A 684 14.842 -33.111 10.443 1.00 0.00 H ATOM 567 N TYR A 685 15.027 -36.101 9.247 1.00 38.38 N ATOM 568 CA TYR A 685 15.178 -37.121 8.205 1.00 32.43 C ATOM 569 C TYR A 685 14.082 -37.029 7.148 1.00 34.69 C ATOM 570 O TYR A 685 13.667 -38.043 6.581 1.00 46.44 O ATOM 571 CB TYR A 685 15.283 -38.543 8.782 1.00 35.86 C ATOM 572 CG TYR A 685 16.577 -38.828 9.517 1.00 49.85 C ATOM 573 CD1 TYR A 685 17.451 -37.805 9.861 1.00 60.82 C ATOM 574 CD2 TYR A 685 16.916 -40.124 9.879 1.00 65.78 C ATOM 575 CE1 TYR A 685 18.627 -38.066 10.536 1.00 69.42 C ATOM 576 CE2 TYR A 685 18.090 -40.395 10.553 1.00 75.52 C ATOM 577 CZ TYR A 685 18.943 -39.362 10.879 1.00 75.19 C ATOM 578 OH TYR A 685 20.116 -39.624 11.551 1.00 77.36 O ATOM 579 HH TYR A 685 20.604 -38.776 11.703 1.00 0.00 H ATOM 580 H TYR A 685 15.760 -35.367 9.330 1.00 0.00 H ATOM 581 N ARG A 686 13.600 -35.818 6.867 1.00 35.64 N ATOM 582 CA ARG A 686 12.552 -35.630 5.872 1.00 33.42 C ATOM 583 C ARG A 686 13.079 -35.342 4.471 1.00 32.01 C ATOM 584 O ARG A 686 12.274 -35.259 3.538 1.00 35.97 O ATOM 585 CB ARG A 686 11.562 -34.535 6.301 1.00 34.79 C ATOM 586 CG ARG A 686 11.238 -34.536 7.787 1.00 57.93 C ATOM 587 CD ARG A 686 9.770 -34.835 8.053 1.00 72.82 C ATOM 588 NE ARG A 686 9.558 -35.290 9.424 1.00 90.88 N ATOM 589 CZ ARG A 686 8.441 -35.863 9.861 1.00101.97 C ATOM 590 NH1 ARG A 686 8.345 -36.246 11.127 1.00103.42 N ATOM 591 NH2 ARG A 686 7.418 -36.049 9.038 1.00105.27 N ATOM 592 HE ARG A 686 10.333 -35.157 10.105 1.00 0.00 H ATOM 593 HH12 ARG A 686 7.471 -36.694 11.470 1.00 0.00 H ATOM 594 HH11 ARG A 686 9.143 -36.098 11.777 1.00 0.00 H ATOM 595 HH22 ARG A 686 6.546 -36.498 9.385 1.00 0.00 H ATOM 596 HH21 ARG A 686 7.487 -35.746 8.046 1.00 0.00 H ATOM 597 H ARG A 686 13.980 -34.990 7.369 1.00 0.00 H ATOM 598 N TYR A 687 14.398 -35.154 4.295 1.00 26.67 N ATOM 599 CA TYR A 687 15.021 -35.020 2.974 1.00 24.07 C ATOM 600 C TYR A 687 15.919 -36.235 2.790 1.00 27.49 C ATOM 601 O TYR A 687 17.037 -36.282 3.312 1.00 28.39 O ATOM 602 CB TYR A 687 15.847 -33.736 2.845 1.00 23.73 C ATOM 603 CG TYR A 687 15.079 -32.465 3.072 1.00 26.92 C ATOM 604 CD1 TYR A 687 13.887 -32.223 2.412 1.00 27.29 C ATOM 605 CD2 TYR A 687 15.564 -31.492 3.936 1.00 26.46 C ATOM 606 CE1 TYR A 687 13.178 -31.063 2.622 1.00 26.64 C ATOM 607 CE2 TYR A 687 14.863 -30.325 4.157 1.00 24.74 C ATOM 608 CZ TYR A 687 13.677 -30.117 3.494 1.00 24.48 C ATOM 609 OH TYR A 687 12.954 -28.976 3.711 1.00 25.39 O ATOM 610 HH TYR A 687 12.136 -28.994 3.154 1.00 0.00 H ATOM 611 H TYR A 687 15.007 -35.101 5.137 1.00 0.00 H ATOM 612 N LEU A 688 15.428 -37.215 2.042 1.00 26.24 N ATOM 613 CA LEU A 688 16.198 -38.410 1.736 1.00 26.83 C ATOM 614 C LEU A 688 16.624 -38.460 0.280 1.00 27.77 C ATOM 615 O LEU A 688 17.214 -39.455 -0.154 1.00 30.52 O ATOM 616 CB LEU A 688 15.408 -39.665 2.114 1.00 29.05 C ATOM 617 CG LEU A 688 15.054 -39.711 3.603 1.00 27.85 C ATOM 618 CD1 LEU A 688 14.221 -40.938 3.948 1.00 30.47 C ATOM 619 CD2 LEU A 688 16.327 -39.660 4.443 1.00 32.26 C ATOM 620 H LEU A 688 14.464 -37.126 1.663 1.00 0.00 H ATOM 621 N ASN A 689 16.319 -37.421 -0.488 1.00 27.42 N ATOM 622 CA ASN A 689 16.842 -37.286 -1.836 1.00 25.00 C ATOM 623 C ASN A 689 17.064 -35.808 -2.114 1.00 23.14 C ATOM 624 O ASN A 689 16.516 -34.932 -1.437 1.00 24.37 O ATOM 625 CB ASN A 689 15.937 -37.956 -2.887 1.00 27.78 C ATOM 626 CG ASN A 689 14.491 -37.494 -2.806 1.00 26.39 C ATOM 627 OD1 ASN A 689 14.203 -36.315 -3.034 1.00 26.91 O ATOM 628 ND2 ASN A 689 13.585 -38.402 -2.501 1.00 32.90 N ATOM 629 HD22 ASN A 689 13.874 -39.384 -2.317 1.00 0.00 H ATOM 630 HD21 ASN A 689 12.581 -38.136 -2.445 1.00 0.00 H ATOM 631 H ASN A 689 15.688 -36.684 -0.114 1.00 0.00 H ATOM 632 N PHE A 690 17.904 -35.536 -3.105 1.00 24.96 N ATOM 633 CA PHE A 690 18.246 -34.150 -3.375 1.00 25.14 C ATOM 634 C PHE A 690 17.041 -33.356 -3.851 1.00 22.60 C ATOM 635 O PHE A 690 16.885 -32.183 -3.490 1.00 22.74 O ATOM 636 CB PHE A 690 19.386 -34.069 -4.382 1.00 26.71 C ATOM 637 CG PHE A 690 20.087 -32.757 -4.367 1.00 25.61 C ATOM 638 CD1 PHE A 690 21.115 -32.520 -3.477 1.00 27.52 C ATOM 639 CD2 PHE A 690 19.700 -31.744 -5.226 1.00 26.87 C ATOM 640 CE1 PHE A 690 21.764 -31.303 -3.446 1.00 32.04 C ATOM 641 CE2 PHE A 690 20.346 -30.512 -5.201 1.00 31.40 C ATOM 642 CZ PHE A 690 21.379 -30.296 -4.308 1.00 26.82 C ATOM 643 H PHE A 690 18.311 -36.302 -3.679 1.00 0.00 H ATOM 644 N ASP A 691 16.166 -33.982 -4.639 1.00 22.35 N ATOM 645 CA ASP A 691 15.053 -33.247 -5.229 1.00 21.54 C ATOM 646 C ASP A 691 14.070 -32.735 -4.179 1.00 27.98 C ATOM 647 O ASP A 691 13.510 -31.650 -4.349 1.00 23.29 O ATOM 648 CB ASP A 691 14.360 -34.095 -6.292 1.00 22.94 C ATOM 649 CG ASP A 691 15.193 -34.242 -7.557 1.00 31.57 C ATOM 650 OD1 ASP A 691 16.128 -33.435 -7.740 1.00 46.03 O ATOM 651 OD2 ASP A 691 14.910 -35.150 -8.360 1.00 50.20 O ATOM 652 H ASP A 691 16.278 -34.998 -4.833 1.00 0.00 H ATOM 653 N ASP A 692 13.841 -33.481 -3.097 1.00 21.93 N ATOM 654 CA ASP A 692 12.935 -32.989 -2.062 1.00 23.89 C ATOM 655 C ASP A 692 13.519 -31.777 -1.356 1.00 21.07 C ATOM 656 O ASP A 692 12.792 -30.845 -1.000 1.00 23.96 O ATOM 657 CB ASP A 692 12.643 -34.093 -1.052 1.00 23.35 C ATOM 658 CG ASP A 692 11.635 -35.100 -1.564 1.00 27.86 C ATOM 659 OD1 ASP A 692 10.981 -34.854 -2.609 1.00 25.77 O ATOM 660 OD2 ASP A 692 11.472 -36.144 -0.902 1.00 30.09 O ATOM 661 H ASP A 692 14.304 -34.406 -2.991 1.00 0.00 H ATOM 662 N PHE A 693 14.829 -31.788 -1.129 1.00 20.04 N ATOM 663 CA PHE A 693 15.512 -30.644 -0.541 1.00 20.44 C ATOM 664 C PHE A 693 15.400 -29.436 -1.459 1.00 21.70 C ATOM 665 O PHE A 693 15.014 -28.342 -1.025 1.00 20.86 O ATOM 666 CB PHE A 693 16.980 -31.032 -0.334 1.00 20.30 C ATOM 667 CG PHE A 693 17.853 -29.934 0.219 1.00 20.04 C ATOM 668 CD1 PHE A 693 17.921 -29.718 1.583 1.00 20.50 C ATOM 669 CD2 PHE A 693 18.642 -29.163 -0.623 1.00 21.79 C ATOM 670 CE1 PHE A 693 18.748 -28.726 2.102 1.00 21.24 C ATOM 671 CE2 PHE A 693 19.478 -28.171 -0.108 1.00 23.51 C ATOM 672 CZ PHE A 693 19.524 -27.956 1.248 1.00 20.73 C ATOM 673 H PHE A 693 15.380 -32.635 -1.378 1.00 0.00 H ATOM 674 N GLU A 694 15.709 -29.634 -2.744 1.00 21.24 N ATOM 675 CA GLU A 694 15.632 -28.540 -3.708 1.00 21.13 C ATOM 676 C GLU A 694 14.205 -28.026 -3.849 1.00 20.75 C ATOM 677 O GLU A 694 14.001 -26.816 -4.009 1.00 21.82 O ATOM 678 CB GLU A 694 16.202 -28.992 -5.057 1.00 21.75 C ATOM 679 CG GLU A 694 16.117 -27.935 -6.160 1.00 29.29 C ATOM 680 CD GLU A 694 17.169 -28.108 -7.252 1.00 46.88 C ATOM 681 OE1 GLU A 694 18.097 -28.929 -7.080 1.00 39.55 O ATOM 682 OE2 GLU A 694 17.065 -27.419 -8.290 1.00 47.16 O ATOM 683 H GLU A 694 16.008 -30.578 -3.061 1.00 0.00 H ATOM 684 N GLU A 695 13.211 -28.911 -3.737 1.00 23.07 N ATOM 685 CA GLU A 695 11.811 -28.506 -3.837 1.00 22.73 C ATOM 686 C GLU A 695 11.446 -27.511 -2.741 1.00 23.97 C ATOM 687 O GLU A 695 10.736 -26.531 -2.994 1.00 23.00 O ATOM 688 CB GLU A 695 10.917 -29.750 -3.779 1.00 24.53 C ATOM 689 CG GLU A 695 9.414 -29.517 -3.852 1.00 23.76 C ATOM 690 CD GLU A 695 8.632 -30.813 -3.728 1.00 37.76 C ATOM 691 OE1 GLU A 695 8.409 -31.275 -2.589 1.00 47.90 O ATOM 692 OE2 GLU A 695 8.249 -31.367 -4.778 1.00 49.44 O ATOM 693 H GLU A 695 13.439 -29.913 -3.575 1.00 0.00 H ATOM 694 N ASP A 696 11.936 -27.729 -1.521 1.00 21.55 N ATOM 695 CA ASP A 696 11.609 -26.804 -0.442 1.00 24.15 C ATOM 696 C ASP A 696 12.352 -25.488 -0.604 1.00 21.96 C ATOM 697 O ASP A 696 11.805 -24.423 -0.298 1.00 22.27 O ATOM 698 CB ASP A 696 11.858 -27.447 0.924 1.00 23.89 C ATOM 699 CG ASP A 696 10.635 -28.189 1.443 1.00 26.52 C ATOM 700 OD1 ASP A 696 9.568 -28.158 0.784 1.00 29.42 O ATOM 701 OD2 ASP A 696 10.742 -28.814 2.514 1.00 27.33 O ATOM 702 H ASP A 696 12.546 -28.552 -1.340 1.00 0.00 H ATOM 703 N PHE A 697 13.594 -25.532 -1.087 1.00 18.55 N ATOM 704 CA PHE A 697 14.264 -24.279 -1.413 1.00 18.64 C ATOM 705 C PHE A 697 13.475 -23.513 -2.467 1.00 20.29 C ATOM 706 O PHE A 697 13.300 -22.295 -2.359 1.00 18.82 O ATOM 707 CB PHE A 697 15.691 -24.519 -1.907 1.00 18.85 C ATOM 708 CG PHE A 697 16.317 -23.291 -2.514 1.00 17.91 C ATOM 709 CD1 PHE A 697 16.842 -22.306 -1.698 1.00 19.96 C ATOM 710 CD2 PHE A 697 16.348 -23.115 -3.884 1.00 17.78 C ATOM 711 CE1 PHE A 697 17.402 -21.154 -2.244 1.00 20.74 C ATOM 712 CE2 PHE A 697 16.916 -21.964 -4.436 1.00 20.34 C ATOM 713 CZ PHE A 697 17.441 -20.991 -3.602 1.00 20.69 C ATOM 714 H PHE A 697 14.076 -26.443 -1.228 1.00 0.00 H ATOM 715 N ASN A 698 12.999 -24.209 -3.503 1.00 19.74 N ATOM 716 CA ASN A 698 12.239 -23.528 -4.549 1.00 20.17 C ATOM 717 C ASN A 698 10.963 -22.911 -3.999 1.00 21.73 C ATOM 718 O ASN A 698 10.510 -21.878 -4.513 1.00 20.46 O ATOM 719 CB ASN A 698 11.893 -24.491 -5.682 1.00 20.31 C ATOM 720 CG ASN A 698 13.089 -24.868 -6.531 1.00 20.61 C ATOM 721 OD1 ASN A 698 14.109 -24.189 -6.549 1.00 21.92 O ATOM 722 ND2 ASN A 698 12.958 -25.984 -7.241 1.00 24.92 N ATOM 723 HD22 ASN A 698 12.073 -26.529 -7.195 1.00 0.00 H ATOM 724 HD21 ASN A 698 13.740 -26.312 -7.843 1.00 0.00 H ATOM 725 H ASN A 698 13.169 -25.233 -3.565 1.00 0.00 H ATOM 726 N LEU A 699 10.382 -23.511 -2.955 1.00 19.32 N ATOM 727 CA LEU A 699 9.204 -22.938 -2.312 1.00 20.12 C ATOM 728 C LEU A 699 9.529 -21.608 -1.638 1.00 21.05 C ATOM 729 O LEU A 699 8.719 -20.674 -1.682 1.00 22.51 O ATOM 730 CB LEU A 699 8.654 -23.918 -1.279 1.00 25.20 C ATOM 731 CG LEU A 699 7.544 -24.851 -1.730 1.00 34.35 C ATOM 732 CD1 LEU A 699 7.080 -25.653 -0.526 1.00 30.54 C ATOM 733 CD2 LEU A 699 6.374 -24.085 -2.347 1.00 29.22 C ATOM 734 H LEU A 699 10.777 -24.403 -2.594 1.00 0.00 H ATOM 735 N ILE A 700 10.678 -21.512 -0.962 1.00 19.79 N ATOM 736 CA ILE A 700 11.069 -20.239 -0.363 1.00 20.78 C ATOM 737 C ILE A 700 11.028 -19.147 -1.418 1.00 19.58 C ATOM 738 O ILE A 700 10.467 -18.062 -1.209 1.00 21.36 O ATOM 739 CB ILE A 700 12.470 -20.359 0.252 1.00 18.49 C ATOM 740 CG1 ILE A 700 12.463 -21.356 1.415 1.00 21.63 C ATOM 741 CG2 ILE A 700 12.963 -19.003 0.726 1.00 21.28 C ATOM 742 CD1 ILE A 700 13.836 -21.585 2.031 1.00 21.43 C ATOM 743 H ILE A 700 11.294 -22.344 -0.863 1.00 0.00 H ATOM 744 N VAL A 701 11.616 -19.440 -2.580 1.00 17.57 N ATOM 745 CA VAL A 701 11.674 -18.481 -3.679 1.00 18.32 C ATOM 746 C VAL A 701 10.282 -18.208 -4.232 1.00 17.94 C ATOM 747 O VAL A 701 9.851 -17.052 -4.333 1.00 18.07 O ATOM 748 CB VAL A 701 12.610 -19.010 -4.781 1.00 18.41 C ATOM 749 CG1 VAL A 701 12.492 -18.160 -6.045 1.00 19.62 C ATOM 750 CG2 VAL A 701 14.045 -19.079 -4.280 1.00 18.29 C ATOM 751 H VAL A 701 12.045 -20.379 -2.706 1.00 0.00 H ATOM 752 N SER A 702 9.559 -19.264 -4.621 1.00 18.13 N ATOM 753 CA SER A 702 8.289 -19.072 -5.316 1.00 17.51 C ATOM 754 C SER A 702 7.238 -18.425 -4.422 1.00 18.94 C ATOM 755 O SER A 702 6.429 -17.616 -4.900 1.00 19.80 O ATOM 756 CB SER A 702 7.788 -20.393 -5.906 1.00 21.25 C ATOM 757 OG SER A 702 7.543 -21.372 -4.907 1.00 21.38 O ATOM 758 HG SER A 702 7.222 -22.205 -5.335 1.00 0.00 H ATOM 759 H SER A 702 9.903 -20.226 -4.428 1.00 0.00 H ATOM 760 N ASN A 703 7.227 -18.758 -3.127 1.00 19.47 N ATOM 761 CA ASN A 703 6.261 -18.127 -2.231 1.00 20.55 C ATOM 762 C ASN A 703 6.486 -16.627 -2.197 1.00 19.72 C ATOM 763 O ASN A 703 5.532 -15.838 -2.165 1.00 21.19 O ATOM 764 CB ASN A 703 6.416 -18.663 -0.806 1.00 21.43 C ATOM 765 CG ASN A 703 5.890 -20.063 -0.628 1.00 23.23 C ATOM 766 OD1 ASN A 703 5.179 -20.592 -1.476 1.00 25.32 O ATOM 767 ND2 ASN A 703 6.229 -20.665 0.503 1.00 25.36 N ATOM 768 HD22 ASN A 703 6.835 -20.175 1.192 1.00 0.00 H ATOM 769 HD21 ASN A 703 5.889 -21.628 0.702 1.00 0.00 H ATOM 770 H ASN A 703 7.901 -19.461 -2.761 1.00 0.00 H ATOM 771 N CYS A 704 7.751 -16.222 -2.174 1.00 18.36 N ATOM 772 CA CYS A 704 8.095 -14.809 -2.079 1.00 18.99 C ATOM 773 C CYS A 704 7.773 -14.082 -3.373 1.00 19.17 C ATOM 774 O CYS A 704 7.255 -12.958 -3.344 1.00 20.10 O ATOM 775 CB CYS A 704 9.576 -14.700 -1.746 1.00 18.65 C ATOM 776 SG CYS A 704 10.158 -13.059 -1.340 1.00 20.01 S ATOM 777 H CYS A 704 8.512 -16.929 -2.225 1.00 0.00 H ATOM 778 N LEU A 705 8.061 -14.704 -4.521 1.00 18.31 N ATOM 779 CA LEU A 705 7.652 -14.122 -5.794 1.00 18.90 C ATOM 780 C LEU A 705 6.138 -13.999 -5.878 1.00 20.06 C ATOM 781 O LEU A 705 5.616 -13.013 -6.411 1.00 20.18 O ATOM 782 CB LEU A 705 8.176 -14.954 -6.969 1.00 18.85 C ATOM 783 CG LEU A 705 9.693 -15.122 -7.090 1.00 17.13 C ATOM 784 CD1 LEU A 705 9.969 -16.127 -8.210 1.00 18.36 C ATOM 785 CD2 LEU A 705 10.383 -13.787 -7.371 1.00 18.93 C ATOM 786 H LEU A 705 8.578 -15.606 -4.506 1.00 0.00 H ATOM 787 N LYS A 706 5.411 -15.000 -5.371 1.00 19.85 N ATOM 788 CA LYS A 706 3.954 -14.975 -5.470 1.00 20.34 C ATOM 789 C LYS A 706 3.361 -13.873 -4.606 1.00 23.13 C ATOM 790 O LYS A 706 2.475 -13.133 -5.052 1.00 24.84 O ATOM 791 CB LYS A 706 3.377 -16.326 -5.058 1.00 22.28 C ATOM 792 CG LYS A 706 1.863 -16.364 -5.086 1.00 28.68 C ATOM 793 CD LYS A 706 1.336 -17.767 -4.816 1.00 28.30 C ATOM 794 CE LYS A 706 -0.181 -17.792 -4.862 1.00 38.83 C ATOM 795 NZ LYS A 706 -0.720 -19.002 -4.196 1.00 43.32 N ATOM 796 HZ1 LYS A 706 -0.360 -19.851 -4.677 1.00 0.00 H ATOM 797 HZ2 LYS A 706 -0.418 -19.012 -3.201 1.00 0.00 H ATOM 798 HZ3 LYS A 706 -1.759 -18.989 -4.244 1.00 0.00 H ATOM 799 H LYS A 706 5.885 -15.800 -4.904 1.00 0.00 H ATOM 800 N TYR A 707 3.824 -13.759 -3.359 1.00 23.39 N ATOM 801 CA TYR A 707 3.152 -12.868 -2.419 1.00 22.35 C ATOM 802 C TYR A 707 3.459 -11.402 -2.687 1.00 23.63 C ATOM 803 O TYR A 707 2.575 -10.548 -2.555 1.00 24.34 O ATOM 804 CB TYR A 707 3.504 -13.216 -0.973 1.00 24.18 C ATOM 805 CG TYR A 707 2.717 -12.368 0.002 1.00 27.14 C ATOM 806 CD1 TYR A 707 1.432 -12.726 0.392 1.00 29.40 C ATOM 807 CD2 TYR A 707 3.237 -11.175 0.480 1.00 28.66 C ATOM 808 CE1 TYR A 707 0.705 -11.932 1.264 1.00 30.00 C ATOM 809 CE2 TYR A 707 2.515 -10.370 1.346 1.00 29.81 C ATOM 810 CZ TYR A 707 1.253 -10.755 1.736 1.00 30.28 C ATOM 811 OH TYR A 707 0.540 -9.953 2.601 1.00 34.74 O ATOM 812 HH TYR A 707 -0.341 -10.366 2.782 1.00 0.00 H ATOM 813 H TYR A 707 4.659 -14.302 -3.059 1.00 0.00 H ATOM 814 N ASN A 708 4.689 -11.095 -3.064 1.00 21.80 N ATOM 815 CA ASN A 708 5.185 -9.728 -3.057 1.00 20.05 C ATOM 816 C ASN A 708 5.140 -9.123 -4.448 1.00 19.87 C ATOM 817 O ASN A 708 5.386 -9.807 -5.447 1.00 21.22 O ATOM 818 CB ASN A 708 6.616 -9.705 -2.531 1.00 20.95 C ATOM 819 CG ASN A 708 6.692 -10.121 -1.091 1.00 22.83 C ATOM 820 OD1 ASN A 708 6.309 -9.365 -0.201 1.00 24.49 O ATOM 821 ND2 ASN A 708 7.175 -11.334 -0.844 1.00 21.79 N ATOM 822 HD22 ASN A 708 7.487 -11.939 -1.630 1.00 0.00 H ATOM 823 HD21 ASN A 708 7.241 -11.678 0.135 1.00 0.00 H ATOM 824 H ASN A 708 5.323 -11.858 -3.376 1.00 0.00 H ATOM 825 N ALA A 709 4.853 -7.822 -4.505 1.00 20.89 N ATOM 826 CA ALA A 709 4.831 -7.127 -5.784 1.00 20.64 C ATOM 827 C ALA A 709 6.228 -7.050 -6.394 1.00 20.48 C ATOM 828 O ALA A 709 7.245 -7.046 -5.688 1.00 19.98 O ATOM 829 CB ALA A 709 4.248 -5.726 -5.612 1.00 21.99 C ATOM 830 H ALA A 709 4.644 -7.300 -3.630 1.00 0.00 H ATOM 831 N LYS A 710 6.264 -6.963 -7.726 1.00 21.11 N ATOM 832 CA LYS A 710 7.538 -6.976 -8.437 1.00 24.15 C ATOM 833 C LYS A 710 8.424 -5.812 -8.038 1.00 26.57 C ATOM 834 O LYS A 710 9.651 -5.935 -8.089 1.00 29.72 O ATOM 835 CB LYS A 710 7.307 -6.965 -9.947 1.00 28.42 C ATOM 836 CG LYS A 710 6.737 -8.260 -10.474 1.00 28.23 C ATOM 837 CD LYS A 710 6.637 -8.268 -11.994 1.00 30.99 C ATOM 838 CE LYS A 710 7.897 -8.852 -12.623 1.00 23.79 C ATOM 839 NZ LYS A 710 7.928 -8.622 -14.089 1.00 22.71 N ATOM 840 HZ1 LYS A 710 7.100 -9.074 -14.527 1.00 0.00 H ATOM 841 HZ2 LYS A 710 7.907 -7.600 -14.279 1.00 0.00 H ATOM 842 HZ3 LYS A 710 8.798 -9.032 -14.485 1.00 0.00 H ATOM 843 H LYS A 710 5.376 -6.885 -8.261 1.00 0.00 H ATOM 844 N ASP A 711 7.834 -4.684 -7.641 1.00 24.59 N ATOM 845 CA ASP A 711 8.636 -3.512 -7.325 1.00 26.46 C ATOM 846 C ASP A 711 9.160 -3.500 -5.898 1.00 28.07 C ATOM 847 O ASP A 711 9.636 -2.457 -5.450 1.00 29.03 O ATOM 848 CB ASP A 711 7.876 -2.220 -7.646 1.00 30.52 C ATOM 849 CG ASP A 711 6.648 -2.015 -6.772 1.00 35.03 C ATOM 850 OD1 ASP A 711 6.355 -2.862 -5.906 1.00 35.00 O ATOM 851 OD2 ASP A 711 5.968 -0.981 -6.947 1.00 42.48 O ATOM 852 H ASP A 711 6.798 -4.642 -7.557 1.00 0.00 H ATOM 853 N THR A 712 9.102 -4.608 -5.176 1.00 24.71 N ATOM 854 CA THR A 712 9.570 -4.643 -3.798 1.00 23.35 C ATOM 855 C THR A 712 10.964 -5.245 -3.693 1.00 22.34 C ATOM 856 O THR A 712 11.397 -6.047 -4.528 1.00 22.72 O ATOM 857 CB THR A 712 8.619 -5.444 -2.903 1.00 22.37 C ATOM 858 OG1 THR A 712 8.613 -6.823 -3.321 1.00 21.53 O ATOM 859 CG2 THR A 712 7.207 -4.895 -2.996 1.00 26.11 C ATOM 860 HG1 THR A 712 8.309 -6.880 -4.261 1.00 0.00 H ATOM 861 H THR A 712 8.713 -5.473 -5.603 1.00 0.00 H ATOM 862 N ILE A 713 11.667 -4.851 -2.633 1.00 23.18 N ATOM 863 CA ILE A 713 12.931 -5.505 -2.307 1.00 23.32 C ATOM 864 C ILE A 713 12.736 -7.006 -2.120 1.00 21.97 C ATOM 865 O ILE A 713 13.547 -7.814 -2.593 1.00 21.87 O ATOM 866 CB ILE A 713 13.564 -4.851 -1.070 1.00 24.81 C ATOM 867 CG1 ILE A 713 14.025 -3.435 -1.409 1.00 30.53 C ATOM 868 CG2 ILE A 713 14.696 -5.713 -0.539 1.00 28.67 C ATOM 869 CD1 ILE A 713 15.377 -3.383 -2.066 1.00 41.07 C ATOM 870 H ILE A 713 11.315 -4.076 -2.036 1.00 0.00 H ATOM 871 N PHE A 714 11.653 -7.409 -1.447 1.00 20.67 N ATOM 872 CA PHE A 714 11.428 -8.836 -1.209 1.00 19.96 C ATOM 873 C PHE A 714 11.390 -9.622 -2.518 1.00 21.02 C ATOM 874 O PHE A 714 12.018 -10.684 -2.643 1.00 19.32 O ATOM 875 CB PHE A 714 10.125 -9.053 -0.437 1.00 23.14 C ATOM 876 CG PHE A 714 10.218 -8.722 1.029 1.00 23.54 C ATOM 877 CD1 PHE A 714 11.446 -8.624 1.665 1.00 25.52 C ATOM 878 CD2 PHE A 714 9.067 -8.519 1.774 1.00 28.57 C ATOM 879 CE1 PHE A 714 11.518 -8.318 3.029 1.00 28.25 C ATOM 880 CE2 PHE A 714 9.132 -8.220 3.126 1.00 30.59 C ATOM 881 CZ PHE A 714 10.361 -8.120 3.754 1.00 33.76 C ATOM 882 H PHE A 714 10.971 -6.709 -1.093 1.00 0.00 H ATOM 883 N TYR A 715 10.641 -9.130 -3.506 1.00 18.98 N ATOM 884 CA TYR A 715 10.560 -9.846 -4.776 1.00 18.72 C ATOM 885 C TYR A 715 11.942 -9.953 -5.415 1.00 19.02 C ATOM 886 O TYR A 715 12.349 -11.031 -5.863 1.00 18.47 O ATOM 887 CB TYR A 715 9.572 -9.140 -5.710 1.00 18.79 C ATOM 888 CG TYR A 715 9.286 -9.884 -6.990 1.00 17.72 C ATOM 889 CD1 TYR A 715 10.147 -9.805 -8.080 1.00 18.68 C ATOM 890 CD2 TYR A 715 8.132 -10.643 -7.123 1.00 16.57 C ATOM 891 CE1 TYR A 715 9.879 -10.474 -9.257 1.00 16.91 C ATOM 892 CE2 TYR A 715 7.855 -11.329 -8.304 1.00 17.13 C ATOM 893 CZ TYR A 715 8.725 -11.239 -9.360 1.00 17.24 C ATOM 894 OH TYR A 715 8.467 -11.906 -10.534 1.00 18.26 O ATOM 895 HH TYR A 715 9.196 -11.728 -11.180 1.00 0.00 H ATOM 896 H TYR A 715 10.118 -8.241 -3.373 1.00 0.00 H TER 897 TYR A 715 ATOM 898 N ALA A 717 14.821 -9.815 -3.974 1.00 17.51 N ATOM 899 CA ALA A 717 15.653 -10.714 -3.180 1.00 18.70 C ATOM 900 C ALA A 717 15.392 -12.171 -3.534 1.00 19.15 C ATOM 901 O ALA A 717 16.320 -12.984 -3.569 1.00 19.80 O ATOM 902 CB ALA A 717 15.426 -10.469 -1.686 1.00 19.66 C ATOM 903 HN3 ALA A 717 13.818 -10.024 -3.795 1.00 0.00 H ATOM 904 HN2 ALA A 717 15.030 -9.952 -4.983 1.00 0.00 H ATOM 905 HN1 ALA A 717 15.024 -8.831 -3.707 1.00 0.00 H ATOM 906 N ALA A 718 14.137 -12.521 -3.814 1.00 16.72 N ATOM 907 CA ALA A 718 13.848 -13.894 -4.215 1.00 15.29 C ATOM 908 C ALA A 718 14.430 -14.201 -5.591 1.00 17.48 C ATOM 909 O ALA A 718 14.923 -15.310 -5.825 1.00 17.99 O ATOM 910 CB ALA A 718 12.342 -14.138 -4.180 1.00 19.08 C ATOM 911 H ALA A 718 13.370 -11.822 -3.747 1.00 0.00 H ATOM 912 N VAL A 719 14.378 -13.248 -6.525 1.00 16.39 N ATOM 913 CA VAL A 719 15.014 -13.459 -7.826 1.00 16.84 C ATOM 914 C VAL A 719 16.502 -13.709 -7.646 1.00 18.95 C ATOM 915 O VAL A 719 17.079 -14.632 -8.242 1.00 19.54 O ATOM 916 CB VAL A 719 14.760 -12.253 -8.749 1.00 17.54 C ATOM 917 CG1 VAL A 719 15.592 -12.376 -10.044 1.00 20.05 C ATOM 918 CG2 VAL A 719 13.287 -12.128 -9.061 1.00 18.59 C ATOM 919 H VAL A 719 13.885 -12.354 -6.327 1.00 0.00 H ATOM 920 N ARG A 720 17.155 -12.884 -6.822 1.00 17.83 N ATOM 921 CA ARG A 720 18.586 -13.049 -6.607 1.00 18.34 C ATOM 922 C ARG A 720 18.887 -14.381 -5.940 1.00 18.32 C ATOM 923 O ARG A 720 19.865 -15.056 -6.292 1.00 20.48 O ATOM 924 CB ARG A 720 19.121 -11.901 -5.752 1.00 19.78 C ATOM 925 CG ARG A 720 20.618 -11.992 -5.468 1.00 19.22 C ATOM 926 CD ARG A 720 21.302 -10.658 -5.732 1.00 23.88 C ATOM 927 NE ARG A 720 22.651 -10.586 -5.182 1.00 28.92 N ATOM 928 CZ ARG A 720 23.742 -10.964 -5.837 1.00 27.98 C ATOM 929 NH1 ARG A 720 23.637 -11.454 -7.064 1.00 32.35 N ATOM 930 NH2 ARG A 720 24.937 -10.855 -5.264 1.00 24.29 N ATOM 931 HE ARG A 720 22.765 -10.216 -4.217 1.00 0.00 H ATOM 932 HH12 ARG A 720 24.490 -11.751 -7.580 1.00 0.00 H ATOM 933 HH11 ARG A 720 22.702 -11.541 -7.511 1.00 0.00 H ATOM 934 HH22 ARG A 720 25.790 -11.152 -5.780 1.00 0.00 H ATOM 935 HH21 ARG A 720 25.019 -10.473 -4.300 1.00 0.00 H ATOM 936 H ARG A 720 16.641 -12.123 -6.334 1.00 0.00 H ATOM 937 N LEU A 721 18.063 -14.773 -4.968 1.00 17.81 N ATOM 938 CA LEU A 721 18.281 -16.045 -4.293 1.00 17.28 C ATOM 939 C LEU A 721 18.095 -17.210 -5.257 1.00 18.94 C ATOM 940 O LEU A 721 18.844 -18.194 -5.196 1.00 19.16 O ATOM 941 CB LEU A 721 17.346 -16.176 -3.087 1.00 18.27 C ATOM 942 CG LEU A 721 17.511 -17.463 -2.274 1.00 17.35 C ATOM 943 CD1 LEU A 721 18.888 -17.480 -1.635 1.00 25.32 C ATOM 944 CD2 LEU A 721 16.416 -17.604 -1.225 1.00 22.91 C ATOM 945 H LEU A 721 17.263 -14.169 -4.691 1.00 0.00 H ATOM 946 N ARG A 722 17.092 -17.137 -6.139 1.00 18.04 N ATOM 947 CA ARG A 722 16.918 -18.175 -7.155 1.00 18.06 C ATOM 948 C ARG A 722 18.183 -18.329 -7.981 1.00 17.87 C ATOM 949 O ARG A 722 18.616 -19.456 -8.252 1.00 21.38 O ATOM 950 CB ARG A 722 15.748 -17.803 -8.068 1.00 18.13 C ATOM 951 CG ARG A 722 15.381 -18.862 -9.126 1.00 19.10 C ATOM 952 CD ARG A 722 14.214 -18.405 -10.001 1.00 18.83 C ATOM 953 NE ARG A 722 14.578 -17.267 -10.832 1.00 21.38 N ATOM 954 CZ ARG A 722 13.730 -16.332 -11.249 1.00 20.21 C ATOM 955 NH1 ARG A 722 12.442 -16.404 -10.929 1.00 21.13 N ATOM 956 NH2 ARG A 722 14.172 -15.312 -11.980 1.00 23.16 N ATOM 957 HE ARG A 722 15.573 -17.179 -11.120 1.00 0.00 H ATOM 958 HH12 ARG A 722 11.783 -15.670 -11.258 1.00 0.00 H ATOM 959 HH11 ARG A 722 12.093 -17.194 -10.350 1.00 0.00 H ATOM 960 HH22 ARG A 722 13.509 -14.580 -12.306 1.00 0.00 H ATOM 961 HH21 ARG A 722 15.181 -15.246 -12.225 1.00 0.00 H ATOM 962 H ARG A 722 16.430 -16.336 -6.102 1.00 0.00 H ATOM 963 N GLU A 723 18.784 -17.213 -8.392 1.00 18.37 N ATOM 964 CA GLU A 723 19.978 -17.277 -9.228 1.00 21.83 C ATOM 965 C GLU A 723 21.167 -17.810 -8.440 1.00 23.82 C ATOM 966 O GLU A 723 21.823 -18.779 -8.850 1.00 26.62 O ATOM 967 CB GLU A 723 20.294 -15.887 -9.772 1.00 22.43 C ATOM 968 CG GLU A 723 19.194 -15.287 -10.638 1.00 29.77 C ATOM 969 CD GLU A 723 19.441 -13.831 -11.000 1.00 35.95 C ATOM 970 OE1 GLU A 723 18.723 -13.315 -11.880 1.00 32.40 O ATOM 971 OE2 GLU A 723 20.357 -13.204 -10.417 1.00 40.73 O ATOM 972 H GLU A 723 18.398 -16.288 -8.114 1.00 0.00 H ATOM 973 N GLN A 724 21.453 -17.194 -7.298 1.00 21.33 N ATOM 974 CA GLN A 724 22.639 -17.588 -6.545 1.00 23.83 C ATOM 975 C GLN A 724 22.459 -18.969 -5.941 1.00 22.72 C ATOM 976 O GLN A 724 23.405 -19.765 -5.895 1.00 26.07 O ATOM 977 CB GLN A 724 22.926 -16.568 -5.446 1.00 22.91 C ATOM 978 CG GLN A 724 23.271 -15.173 -5.924 1.00 24.74 C ATOM 979 CD GLN A 724 23.858 -14.353 -4.799 1.00 31.34 C ATOM 980 OE1 GLN A 724 23.143 -13.889 -3.920 1.00 32.24 O ATOM 981 NE2 GLN A 724 25.170 -14.191 -4.811 1.00 36.43 N ATOM 982 HE22 GLN A 724 25.738 -14.603 -5.578 1.00 0.00 H ATOM 983 HE21 GLN A 724 25.634 -13.651 -4.053 1.00 0.00 H ATOM 984 H GLN A 724 20.836 -16.436 -6.943 1.00 0.00 H ATOM 985 N GLY A 725 21.248 -19.280 -5.482 1.00 21.83 N ATOM 986 CA GLY A 725 21.006 -20.586 -4.894 1.00 22.69 C ATOM 987 C GLY A 725 20.982 -21.703 -5.914 1.00 27.22 C ATOM 988 O GLY A 725 21.409 -22.822 -5.616 1.00 25.75 O ATOM 989 H GLY A 725 20.475 -18.587 -5.545 1.00 0.00 H ATOM 990 N GLY A 726 20.497 -21.426 -7.124 1.00 25.88 N ATOM 991 CA GLY A 726 20.571 -22.424 -8.182 1.00 25.54 C ATOM 992 C GLY A 726 21.990 -22.898 -8.450 1.00 24.94 C ATOM 993 O GLY A 726 22.224 -24.086 -8.686 1.00 27.01 O ATOM 994 H GLY A 726 20.066 -20.498 -7.312 1.00 0.00 H ATOM 995 N ALA A 727 22.959 -21.982 -8.401 1.00 25.88 N ATOM 996 CA ALA A 727 24.351 -22.354 -8.634 1.00 23.11 C ATOM 997 C ALA A 727 24.905 -23.187 -7.479 1.00 24.33 C ATOM 998 O ALA A 727 25.620 -24.172 -7.701 1.00 25.36 O ATOM 999 CB ALA A 727 25.194 -21.096 -8.836 1.00 29.29 C ATOM 1000 H ALA A 727 22.720 -20.991 -8.194 1.00 0.00 H ATOM 1001 N VAL A 728 24.566 -22.816 -6.241 1.00 21.67 N ATOM 1002 CA VAL A 728 24.907 -23.633 -5.080 1.00 20.26 C ATOM 1003 C VAL A 728 24.346 -25.040 -5.232 1.00 20.46 C ATOM 1004 O VAL A 728 25.027 -26.032 -4.943 1.00 21.40 O ATOM 1005 CB VAL A 728 24.407 -22.952 -3.793 1.00 21.55 C ATOM 1006 CG1 VAL A 728 24.470 -23.910 -2.599 1.00 22.05 C ATOM 1007 CG2 VAL A 728 25.192 -21.671 -3.519 1.00 24.42 C ATOM 1008 H VAL A 728 24.048 -21.925 -6.101 1.00 0.00 H ATOM 1009 N LEU A 729 23.097 -25.150 -5.689 1.00 20.31 N ATOM 1010 CA LEU A 729 22.436 -26.447 -5.752 1.00 20.06 C ATOM 1011 C LEU A 729 23.019 -27.318 -6.852 1.00 19.53 C ATOM 1012 O LEU A 729 23.163 -28.535 -6.673 1.00 20.77 O ATOM 1013 CB LEU A 729 20.933 -26.244 -5.948 1.00 20.53 C ATOM 1014 CG LEU A 729 20.215 -25.772 -4.685 1.00 24.15 C ATOM 1015 CD1 LEU A 729 18.850 -25.204 -5.030 1.00 32.67 C ATOM 1016 CD2 LEU A 729 20.084 -26.884 -3.657 1.00 27.61 C ATOM 1017 H LEU A 729 22.589 -24.299 -6.004 1.00 0.00 H ATOM 1018 N ARG A 730 23.368 -26.722 -7.995 1.00 20.18 N ATOM 1019 CA ARG A 730 23.960 -27.516 -9.065 1.00 21.42 C ATOM 1020 C ARG A 730 25.271 -28.146 -8.614 1.00 21.88 C ATOM 1021 O ARG A 730 25.522 -29.335 -8.867 1.00 22.82 O ATOM 1022 CB ARG A 730 24.156 -26.681 -10.334 1.00 23.13 C ATOM 1023 CG ARG A 730 24.731 -27.511 -11.469 1.00 26.91 C ATOM 1024 CD ARG A 730 24.710 -26.801 -12.809 1.00 31.49 C ATOM 1025 NE ARG A 730 25.220 -27.681 -13.857 1.00 29.21 N ATOM 1026 CZ ARG A 730 25.028 -27.483 -15.155 1.00 29.35 C ATOM 1027 NH1 ARG A 730 24.327 -26.434 -15.569 1.00 31.44 N ATOM 1028 NH2 ARG A 730 25.530 -28.342 -16.036 1.00 33.03 N ATOM 1029 HE ARG A 730 25.768 -28.516 -13.568 1.00 0.00 H ATOM 1030 HH12 ARG A 730 24.176 -26.278 -16.586 1.00 0.00 H ATOM 1031 HH11 ARG A 730 23.929 -25.768 -14.876 1.00 0.00 H ATOM 1032 HH22 ARG A 730 25.381 -28.189 -17.054 1.00 0.00 H ATOM 1033 HH21 ARG A 730 26.072 -29.167 -15.708 1.00 0.00 H ATOM 1034 H ARG A 730 23.219 -25.700 -8.121 1.00 0.00 H ATOM 1035 N GLN A 731 26.110 -27.374 -7.915 1.00 21.78 N ATOM 1036 CA GLN A 731 27.371 -27.916 -7.421 1.00 23.58 C ATOM 1037 C GLN A 731 27.129 -28.988 -6.363 1.00 23.88 C ATOM 1038 O GLN A 731 27.800 -30.027 -6.356 1.00 26.01 O ATOM 1039 CB GLN A 731 28.218 -26.780 -6.851 1.00 25.91 C ATOM 1040 CG GLN A 731 28.653 -25.768 -7.911 1.00 39.06 C ATOM 1041 H GLN A 731 25.862 -26.382 -7.723 1.00 0.00 H ATOM 1042 N ALA A 732 26.170 -28.762 -5.460 1.00 21.33 N ATOM 1043 CA ALA A 732 25.903 -29.760 -4.432 1.00 22.85 C ATOM 1044 C ALA A 732 25.373 -31.044 -5.045 1.00 22.24 C ATOM 1045 O ALA A 732 25.731 -32.139 -4.592 1.00 22.83 O ATOM 1046 CB ALA A 732 24.936 -29.203 -3.390 1.00 23.30 C ATOM 1047 H ALA A 732 25.619 -27.881 -5.491 1.00 0.00 H ATOM 1048 N ARG A 733 24.539 -30.935 -6.088 1.00 22.53 N ATOM 1049 CA ARG A 733 24.010 -32.133 -6.735 1.00 23.87 C ATOM 1050 C ARG A 733 25.137 -32.951 -7.350 1.00 26.14 C ATOM 1051 O ARG A 733 25.125 -34.188 -7.286 1.00 27.34 O ATOM 1052 CB ARG A 733 22.959 -31.750 -7.779 1.00 24.83 C ATOM 1053 CG ARG A 733 22.203 -32.930 -8.384 1.00 31.58 C ATOM 1054 CD ARG A 733 21.279 -32.491 -9.516 1.00 34.88 C ATOM 1055 NE ARG A 733 20.079 -31.799 -9.040 1.00 33.06 N ATOM 1056 CZ ARG A 733 18.973 -32.411 -8.619 1.00 30.78 C ATOM 1057 NH1 ARG A 733 18.911 -33.734 -8.594 1.00 31.82 N ATOM 1058 NH2 ARG A 733 17.929 -31.698 -8.214 1.00 33.48 N ATOM 1059 HE ARG A 733 20.091 -30.759 -9.030 1.00 0.00 H ATOM 1060 HH12 ARG A 733 18.046 -34.208 -8.265 1.00 0.00 H ATOM 1061 HH11 ARG A 733 19.728 -34.299 -8.904 1.00 0.00 H ATOM 1062 HH22 ARG A 733 17.067 -32.178 -7.886 1.00 0.00 H ATOM 1063 HH21 ARG A 733 17.973 -30.659 -8.225 1.00 0.00 H ATOM 1064 H ARG A 733 24.267 -29.994 -6.438 1.00 0.00 H ATOM 1065 N ARG A 734 26.131 -32.279 -7.938 1.00 25.30 N ATOM 1066 CA ARG A 734 27.292 -32.990 -8.468 1.00 29.35 C ATOM 1067 C ARG A 734 28.003 -33.772 -7.371 1.00 31.39 C ATOM 1068 O ARG A 734 28.450 -34.904 -7.594 1.00 34.14 O ATOM 1069 CB ARG A 734 28.253 -32.002 -9.130 1.00 31.86 C ATOM 1070 CG ARG A 734 27.690 -31.288 -10.345 1.00 40.15 C ATOM 1071 CD ARG A 734 27.616 -32.206 -11.556 1.00 45.01 C ATOM 1072 NE ARG A 734 26.358 -32.948 -11.617 1.00 42.07 N ATOM 1073 CZ ARG A 734 25.178 -32.403 -11.897 1.00 49.81 C ATOM 1074 NH1 ARG A 734 25.083 -31.104 -12.147 1.00 50.90 N ATOM 1075 NH2 ARG A 734 24.088 -33.158 -11.931 1.00 49.60 N ATOM 1076 HE ARG A 734 26.388 -33.970 -11.429 1.00 0.00 H ATOM 1077 HH12 ARG A 734 24.158 -30.683 -12.365 1.00 0.00 H ATOM 1078 HH11 ARG A 734 25.934 -30.507 -12.125 1.00 0.00 H ATOM 1079 HH22 ARG A 734 23.166 -32.730 -12.150 1.00 0.00 H ATOM 1080 HH21 ARG A 734 24.156 -34.178 -11.738 1.00 0.00 H ATOM 1081 H ARG A 734 26.078 -31.244 -8.019 1.00 0.00 H ATOM 1082 N GLN A 735 28.111 -33.186 -6.176 1.00 28.94 N ATOM 1083 CA GLN A 735 28.711 -33.894 -5.052 1.00 30.24 C ATOM 1084 C GLN A 735 27.871 -35.096 -4.648 1.00 28.97 C ATOM 1085 O GLN A 735 28.414 -36.149 -4.287 1.00 34.75 O ATOM 1086 CB GLN A 735 28.865 -32.935 -3.870 1.00 33.55 C ATOM 1087 CG GLN A 735 29.947 -31.895 -4.054 1.00 33.15 C ATOM 1088 CD GLN A 735 31.264 -32.508 -4.496 1.00 51.63 C ATOM 1089 OE1 GLN A 735 31.866 -33.303 -3.773 1.00 61.25 O ATOM 1090 NE2 GLN A 735 31.711 -32.148 -5.692 1.00 54.43 N ATOM 1091 HE22 GLN A 735 31.169 -31.473 -6.268 1.00 0.00 H ATOM 1092 HE21 GLN A 735 32.604 -32.541 -6.053 1.00 0.00 H ATOM 1093 H GLN A 735 27.763 -32.214 -6.046 1.00 0.00 H ATOM 1094 N ALA A 736 26.543 -34.962 -4.697 1.00 31.82 N ATOM 1095 CA ALA A 736 25.676 -36.081 -4.345 1.00 30.44 C ATOM 1096 C ALA A 736 25.840 -37.225 -5.333 1.00 36.99 C ATOM 1097 O ALA A 736 25.861 -38.400 -4.944 1.00 35.73 O ATOM 1098 CB ALA A 736 24.218 -35.620 -4.299 1.00 32.62 C ATOM 1099 H ALA A 736 26.125 -34.055 -4.988 1.00 0.00 H ATOM 1100 N GLU A 737 25.974 -36.899 -6.619 1.00 36.63 N ATOM 1101 CA GLU A 737 26.153 -37.916 -7.646 1.00 36.46 C ATOM 1102 C GLU A 737 27.515 -38.592 -7.577 1.00 35.87 C ATOM 1103 O GLU A 737 27.698 -39.635 -8.216 1.00 50.85 O ATOM 1104 CB GLU A 737 25.917 -37.310 -9.032 1.00 38.41 C ATOM 1105 CG GLU A 737 24.538 -36.679 -9.188 1.00 40.21 C ATOM 1106 CD GLU A 737 24.345 -36.012 -10.535 1.00 53.49 C ATOM 1107 OE1 GLU A 737 25.357 -35.730 -11.211 1.00 54.81 O ATOM 1108 OE2 GLU A 737 23.181 -35.760 -10.914 1.00 51.09 O ATOM 1109 H GLU A 737 25.950 -35.896 -6.895 1.00 0.00 H ATOM 1110 N LYS A 738 28.471 -38.039 -6.823 1.00 39.93 N ATOM 1111 CA LYS A 738 29.739 -38.734 -6.616 1.00 48.42 C ATOM 1112 C LYS A 738 29.597 -39.883 -5.625 1.00 65.32 C ATOM 1113 O LYS A 738 30.288 -40.900 -5.756 1.00 68.41 O ATOM 1114 CB LYS A 738 30.814 -37.760 -6.129 1.00 49.80 C ATOM 1115 CG LYS A 738 31.415 -36.882 -7.213 1.00 56.70 C ATOM 1116 CD LYS A 738 32.550 -36.028 -6.662 1.00 58.79 C ATOM 1117 H LYS A 738 28.311 -37.111 -6.382 1.00 0.00 H ATOM 1118 N MET A 739 28.718 -39.741 -4.636 1.00 64.11 N ATOM 1119 CA MET A 739 28.544 -40.746 -3.589 1.00 63.11 C ATOM 1120 C MET A 739 28.083 -42.082 -4.161 1.00 65.15 C ATOM 1121 O MET A 739 26.964 -42.200 -4.659 1.00 62.54 O ATOM 1122 CB MET A 739 27.536 -40.252 -2.548 1.00 56.96 C ATOM 1123 CG MET A 739 27.861 -38.883 -1.986 1.00 45.05 C ATOM 1124 SD MET A 739 26.562 -38.142 -0.966 1.00 37.82 S ATOM 1125 CE MET A 739 27.513 -36.854 -0.160 1.00 36.82 C ATOM 1126 H MET A 739 28.132 -38.882 -4.607 1.00 0.00 H TER 1127 MET A 739 HETATM 1128 O HOH 1 26.895 -46.334 -1.532 1.00 63.07 O HETATM 1129 O HOH 2 21.734 -15.591 5.794 1.00 28.54 O HETATM 1130 O HOH 3 26.669 -15.677 -5.704 1.00 51.75 O HETATM 1131 O HOH 4 9.476 -32.163 -6.600 1.00 45.94 O HETATM 1132 O HOH 5 19.231 -16.884 5.901 1.00 28.33 O HETATM 1133 O HOH 6 22.094 -7.547 -0.992 1.00 34.73 O HETATM 1134 O HOH 7 20.837 -14.290 -2.972 1.00 28.21 O HETATM 1135 O HOH 8 7.805 -21.052 6.823 1.00 30.06 O HETATM 1136 O HOH 9 12.560 -9.687 -12.160 1.00 47.56 O HETATM 1137 O HOH 10 27.965 -44.028 0.738 1.00 63.73 O HETATM 1138 O HOH 11 7.343 -15.136 1.063 1.00 23.51 O HETATM 1139 O HOH 12 24.049 -12.856 -1.731 1.00 40.91 O HETATM 1140 O HOH 13 18.334 -22.744 9.292 1.00 37.97 O HETATM 1141 O HOH 14 16.835 -14.735 -12.949 1.00 32.94 O HETATM 1142 O HOH 15 4.839 -2.298 -3.877 1.00 51.82 O HETATM 1143 O HOH 16 5.459 -6.935 0.139 1.00 32.28 O HETATM 1144 O HOH 17 10.127 -31.315 -0.613 1.00 34.55 O HETATM 1145 O HOH 18 18.625 -11.299 1.967 1.00 39.10 O HETATM 1146 O HOH 19 8.781 -16.121 12.231 1.00 46.88 O HETATM 1147 O HOH 20 27.340 -27.923 7.767 1.00 42.70 O HETATM 1148 O HOH 21 6.699 0.677 -8.889 1.00 43.86 O HETATM 1149 O HOH 22 8.639 -30.259 3.257 1.00 36.77 O HETATM 1150 O HOH 23 30.800 -29.956 -6.899 1.00 44.34 O HETATM 1151 O HOH 24 4.890 -24.832 6.067 1.00 42.07 O HETATM 1152 O HOH 25 8.051 -23.753 -5.995 1.00 29.74 O HETATM 1153 O HOH 26 10.934 -20.426 -8.158 1.00 41.70 O HETATM 1154 O HOH 27 26.812 -33.278 10.419 1.00 42.08 O HETATM 1155 O HOH 28 26.033 -14.272 4.266 1.00 42.21 O HETATM 1156 O HOH 29 9.486 -24.000 11.551 1.00 44.85 O HETATM 1157 O HOH 30 7.231 -18.761 2.867 1.00 24.94 O HETATM 1158 O HOH 31 10.568 -17.563 3.479 1.00 26.47 O HETATM 1159 O HOH 32 17.503 -20.035 9.889 1.00 31.57 O HETATM 1160 O HOH 33 9.979 -23.035 -8.007 1.00 57.96 O HETATM 1161 O HOH 34 29.163 -19.249 -3.878 1.00 47.13 O HETATM 1162 O HOH 35 27.311 -28.163 -0.683 1.00 26.92 O HETATM 1163 O HOH 36 16.532 -24.395 -7.799 1.00 41.43 O HETATM 1164 O HOH 37 10.871 -15.735 5.575 1.00 26.41 O HETATM 1165 O HOH 38 16.659 -35.180 5.843 1.00 27.50 O HETATM 1166 O HOH 39 4.832 -21.010 -4.173 1.00 28.98 O HETATM 1167 O HOH 40 28.399 -16.110 -0.853 1.00 55.71 O HETATM 1168 O HOH 41 22.115 -23.593 7.823 1.00 47.90 O HETATM 1169 O HOH 42 33.629 -27.389 -1.177 1.00 57.31 O HETATM 1170 O HOH 43 13.137 -30.584 -6.876 1.00 38.62 O HETATM 1171 O HOH 44 20.312 -25.447 -10.155 1.00 41.73 O HETATM 1172 O HOH 45 19.191 -37.828 -3.978 1.00 33.24 O HETATM 1173 O HOH 46 24.462 -43.553 7.231 1.00 43.46 O HETATM 1174 O HOH 47 10.673 -14.104 9.128 1.00 45.26 O HETATM 1175 O HOH 48 25.095 -20.226 6.645 1.00 40.05 O HETATM 1176 O HOH 49 19.500 -12.648 -14.469 1.00 51.87 O HETATM 1177 O HOH 50 1.861 -7.993 -1.710 1.00 40.23 O HETATM 1178 O HOH 51 27.457 -25.948 -3.439 1.00 26.96 O HETATM 1179 O HOH 52 28.018 -30.486 6.900 1.00 30.94 O HETATM 1180 O HOH 53 30.549 -36.019 -2.500 1.00 47.44 O HETATM 1181 O HOH 54 14.337 -21.499 -7.244 1.00 33.00 O HETATM 1182 O HOH 55 26.030 -18.837 -6.093 1.00 31.53 O HETATM 1183 O HOH 56 8.258 -34.050 -2.926 1.00 31.02 O HETATM 1184 O HOH 57 8.846 -26.160 -5.029 1.00 26.56 O HETATM 1185 O HOH 58 27.001 -24.005 -10.135 1.00 41.23 O HETATM 1186 O HOH 59 18.609 -12.848 -1.933 1.00 26.63 O HETATM 1187 O HOH 60 14.080 -31.729 13.565 1.00 44.28 O HETATM 1188 O HOH 61 3.002 -22.421 -1.104 1.00 28.64 O HETATM 1189 O HOH 62 21.106 -20.181 -11.205 1.00 41.05 O HETATM 1190 O HOH 63 22.819 -26.542 7.875 1.00 38.46 O HETATM 1191 O HOH 64 4.876 -18.110 7.472 1.00 33.43 O HETATM 1192 O HOH 65 1.025 -13.618 -7.455 1.00 45.69 O HETATM 1193 O HOH 66 24.478 -11.619 6.808 1.00 40.34 O HETATM 1194 O HOH 67 26.405 -41.034 0.801 1.00 41.33 O HETATM 1195 O HOH 68 31.023 -26.811 -1.482 1.00 47.74 O HETATM 1196 O HOH 69 9.310 -17.113 1.224 1.00 23.43 O HETATM 1197 O HOH 70 8.880 -3.778 -10.901 1.00 49.78 O HETATM 1198 O HOH 71 29.345 -35.569 2.506 1.00 36.62 O HETATM 1199 O HOH 72 17.042 -21.843 -8.462 1.00 30.95 O HETATM 1200 O HOH 73 7.164 -18.649 5.777 1.00 27.13 O HETATM 1201 O HOH 74 26.550 -14.030 -0.001 1.00 41.44 O HETATM 1202 O HOH 75 22.157 -48.539 -0.778 1.00 37.88 O HETATM 1203 O HOH 76 27.393 -19.769 -0.300 1.00 28.02 O HETATM 1204 O HOH 77 22.473 -16.953 7.466 1.00 44.38 O HETATM 1205 O HOH 78 3.789 -6.376 -9.170 1.00 25.75 O HETATM 1206 O HOH 79 3.965 -6.419 -2.089 1.00 26.70 O HETATM 1207 O HOH 80 7.116 -5.936 -14.968 1.00 35.47 O HETATM 1208 O HOH 81 7.792 -28.797 5.888 1.00 36.58 O HETATM 1209 O HOH 82 12.528 -13.407 15.292 1.00 64.29 O HETATM 1210 O HOH 83 8.167 -28.806 9.375 1.00 51.56 O HETATM 1211 O HOH 84 13.171 -14.591 8.210 1.00 34.13 O HETATM 1212 O HOH 85 20.573 -46.432 -0.264 1.00 27.18 O HETATM 1213 O HOH 86 31.128 -22.872 1.239 1.00 44.38 O HETATM 1214 O HOH 87 10.939 -18.946 -10.524 1.00 23.93 O HETATM 1215 O HOH 88 16.598 -36.560 -6.082 1.00 38.33 O HETATM 1216 O HOH 89 10.169 -27.130 -7.212 1.00 29.61 O HETATM 1217 O HOH 90 9.445 -35.692 1.294 1.00 45.86 O HETATM 1218 O HOH 91 -0.435 -10.745 -2.102 1.00 41.90 O HETATM 1219 O HOH 92 14.633 -32.873 -10.452 1.00 41.09 O HETATM 1220 O HOH 93 15.162 -13.303 -14.488 1.00 42.22 O HETATM 1221 O HOH 94 4.970 -3.948 -8.724 1.00 30.90 O HETATM 1222 O HOH 95 1.203 -21.205 -3.001 1.00 38.15 O HETATM 1223 O HOH 96 17.355 -18.089 -12.138 1.00 38.76 O HETATM 1224 O HOH 97 5.615 -7.511 4.837 1.00 48.04 O HETATM 1225 O HOH 98 26.481 -44.263 8.622 1.00 47.45 O HETATM 1226 O HOH 99 23.879 -14.293 5.903 1.00 51.09 O HETATM 1227 O HOH 100 13.939 -6.512 -14.192 1.00 55.52 O HETATM 1228 O HOH 101 29.265 -28.077 -3.861 1.00 49.54 O HETATM 1229 O HOH 102 22.978 -23.092 -12.047 1.00 53.65 O HETATM 1230 O HOH 103 29.384 -29.501 -1.556 1.00 39.90 O HETATM 1231 O HOH 104 25.186 -47.678 0.363 1.00 50.93 O HETATM 1232 O HOH 105 12.113 -19.861 13.996 1.00 54.23 O HETATM 1233 O HOH 106 23.707 -21.554 8.437 1.00 50.24 O HETATM 1234 O HOH 107 29.646 -32.539 2.282 1.00 39.49 O HETATM 1235 O HOH 108 30.730 -31.887 -0.365 1.00 43.19 O HETATM 1236 O HOH 109 31.384 -28.305 -5.686 1.00 52.69 O HETATM 1237 O HOH 110 27.978 -20.998 -5.970 1.00 49.07 O HETATM 1238 O HOH 111 31.466 -21.639 -1.037 1.00 51.79 O HETATM 1239 O HOH 112 28.943 -42.154 0.262 1.00 61.43 O HETATM 1240 O HOH 113 27.143 -23.697 -16.222 1.00 38.16 O HETATM 1241 O HOH 114 28.769 -21.331 -2.041 1.00 34.80 O HETATM 1242 O HOH 115 6.369 -34.186 -0.706 1.00 45.79 O HETATM 1243 O HOH 116 17.322 -19.099 12.604 1.00 58.42 O HETATM 1244 O HOH 117 6.333 -3.262 -11.095 1.00 36.65 O HETATM 1245 O HOH 118 28.740 -23.383 -3.967 1.00 37.42 O HETATM 1246 O HOH 119 2.790 -24.800 -2.555 1.00 38.09 O HETATM 1247 O HOH 120 5.914 -22.524 8.470 1.00 42.29 O HETATM 1248 O HOH 121 6.533 -27.392 -4.794 1.00 40.68 O HETATM 1249 O HOH 122 4.016 -6.968 2.599 1.00 52.48 O HETATM 1250 O HOH 123 26.302 -17.023 -7.923 1.00 47.41 O HETATM 1251 O HOH 124 3.561 -3.663 -2.618 1.00 41.39 O HETATM 1252 O HOH 125 30.547 -30.222 6.051 1.00 41.32 O HETATM 1253 O HOH 126 6.157 -27.379 6.629 1.00 52.65 O HETATM 1254 O HOH 127 26.320 -15.485 6.457 1.00 51.26 O HETATM 1255 O HOH 128 28.360 -31.661 9.446 1.00 41.97 O HETATM 1256 O HOH 129 31.336 -31.400 4.308 1.00 40.26 O HETATM 1257 O HOH 130 7.002 -33.425 -8.773 1.00 44.39 O HETATM 1258 O HOH 131 6.168 -30.851 9.982 1.00 66.67 O HETATM 1259 O HOH 132 10.209 -19.785 14.108 1.00 57.90 O HETATM 1260 O HOH 133 1.406 -6.879 -7.961 1.00 31.73 O HETATM 1261 O HOH 134 6.807 -0.592 -11.726 1.00 47.23 O HETATM 1262 O HOH 135 6.594 -27.222 9.357 1.00 49.66 O HETATM 1263 O HOH 136 4.072 -20.551 8.839 1.00 44.77 O HETATM 1264 O HOH 137 3.193 -27.795 -1.948 1.00 61.60 O HETATM 1265 O HOH 138 0.879 -4.587 -6.721 1.00 42.09 O HETATM 1266 O HOH 139 30.975 -31.840 9.001 1.00 61.05 O HETATM 1267 O HOH 140 30.811 -30.340 10.078 1.00 52.58 O HETATM 1268 O HOH 141 32.371 -33.290 7.718 1.00 59.20 O HETATM 1269 O HOH 142 32.921 -33.525 5.642 1.00 51.74 O HETATM 1270 O HOH 143 32.212 -30.439 8.490 1.00 48.84 O HETATM 1271 O HOH 144 33.736 -28.753 8.904 1.00 58.97 O HETATM 1272 CAA UNN A 145 10.986 -12.264 2.363 1.00 -0.04 C HETATM 1273 CAL UNN A 145 9.979 -13.062 3.190 1.00 0.05 C HETATM 1274 NAZ UNN A 145 8.959 -12.162 3.749 1.00 -0.21 N HETATM 1275 CAU UNN A 145 7.826 -11.941 3.054 1.00 0.26 C HETATM 1276 CAR UNN A 145 6.863 -11.086 3.584 1.00 0.13 C HETATM 1277 CAB UNN A 145 5.689 -10.841 2.895 1.00 -0.08 C HETATM 1278 H4 UNN A 145 4.940 -10.171 3.316 1.00 0.02 H HETATM 1279 H5 UNN A 145 5.513 -11.318 1.932 1.00 0.02 H HETATM 1280 NAN UNN A 145 7.057 -10.494 4.765 1.00 -0.27 N HETATM 1281 CAV UNN A 145 8.184 -10.716 5.447 1.00 0.09 C HETATM 1282 CAK UNN A 145 8.358 -10.089 6.671 1.00 -0.03 C HETATM 1283 CAQ UNN A 145 9.510 -10.297 7.413 1.00 0.02 C HETATM 1284 CAH UNN A 145 10.504 -11.140 6.919 1.00 -0.07 C HETATM 1285 CAI UNN A 145 10.325 -11.777 5.686 1.00 -0.04 C HETATM 1286 CAW UNN A 145 9.160 -11.569 4.942 1.00 0.10 C HETATM 1287 H16 UNN A 145 11.096 -12.437 5.305 1.00 0.05 H HETATM 1288 H15 UNN A 145 11.412 -11.302 7.488 1.00 0.05 H HETATM 1289 CAP UNN A 145 9.603 -9.611 8.623 1.00 0.19 C HETATM 1290 NAO UNN A 145 10.837 -9.456 9.124 1.00 -0.28 N HETATM 1291 CAX UNN A 145 11.127 -8.691 10.357 1.00 0.05 C HETATM 1292 CAD UNN A 145 10.978 -7.195 10.059 1.00 -0.04 C HETATM 1293 H9 UNN A 145 11.635 -6.921 9.220 1.00 0.03 H HETATM 1294 H10 UNN A 145 11.259 -6.614 10.950 1.00 0.03 H HETATM 1295 H11 UNN A 145 9.933 -6.976 9.793 1.00 0.03 H HETATM 1296 CAT UNN A 145 10.201 -9.050 11.530 1.00 -0.01 C HETATM 1297 CAJ UNN A 145 9.397 -8.205 12.163 1.00 -0.01 C HETATM 1298 NAM UNN A 145 8.779 -8.912 13.115 1.00 -0.24 N HETATM 1299 NAY UNN A 145 9.167 -10.106 13.085 1.00 -0.22 N HETATM 1300 CAE UNN A 145 8.706 -11.186 13.986 1.00 0.06 C HETATM 1301 H12 UNN A 145 7.966 -10.783 14.693 1.00 0.06 H HETATM 1302 H13 UNN A 145 9.564 -11.589 14.544 1.00 0.06 H HETATM 1303 H14 UNN A 145 8.246 -11.989 13.391 1.00 0.06 H HETATM 1304 CAS UNN A 145 10.060 -10.229 12.107 1.00 0.06 C HETATM 1305 CAC UNN A 145 10.789 -11.516 11.717 1.00 -0.01 C HETATM 1306 H6 UNN A 145 11.466 -11.313 10.874 1.00 0.04 H HETATM 1307 H7 UNN A 145 10.054 -12.279 11.421 1.00 0.04 H HETATM 1308 H8 UNN A 145 11.372 -11.882 12.575 1.00 0.04 H HETATM 1309 H17 UNN A 145 9.266 -7.145 11.949 1.00 0.06 H HETATM 1310 H21 UNN A 145 12.164 -8.900 10.657 1.00 0.06 H HETATM 1311 H23 UNN A 145 11.602 -9.880 8.639 1.00 0.19 H HETATM 1312 OAF UNN A 145 8.591 -9.126 9.122 1.00 -0.39 O HETATM 1313 H18 UNN A 145 7.586 -9.430 7.051 1.00 0.05 H HETATM 1314 H22 UNN A 145 6.337 -9.866 5.150 1.00 0.21 H HETATM 1315 OAG UNN A 145 7.652 -12.492 1.965 1.00 -0.37 O HETATM 1316 H19 UNN A 145 10.505 -13.571 4.011 1.00 0.06 H HETATM 1317 H20 UNN A 145 9.492 -13.810 2.547 1.00 0.06 H HETATM 1318 H1 UNN A 145 11.744 -12.946 1.950 1.00 0.03 H HETATM 1319 H2 UNN A 145 11.476 -11.516 3.004 1.00 0.03 H HETATM 1320 H3 UNN A 145 10.463 -11.755 1.540 1.00 0.03 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 898 899 903 904 905 CONECT 903 898 CONECT 904 898 CONECT 905 898 CONECT 1272 1273 1318 1319 1320 CONECT 1273 1272 1274 1316 1317 CONECT 1274 1273 1275 1286 CONECT 1275 1274 1276 1315 CONECT 1276 1275 1277 1280 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1276 1281 1314 CONECT 1281 1280 1282 1286 CONECT 1282 1281 1283 1313 CONECT 1283 1282 1284 1289 CONECT 1284 1283 1285 1288 CONECT 1285 1284 1286 1287 CONECT 1286 1274 1281 1285 CONECT 1287 1285 CONECT 1288 1284 CONECT 1289 1283 1290 1312 CONECT 1290 1289 1291 1311 CONECT 1291 1290 1292 1296 1310 CONECT 1292 1291 1293 1294 1295 CONECT 1293 1292 CONECT 1294 1292 CONECT 1295 1292 CONECT 1296 1291 1297 1304 CONECT 1297 1296 1298 1309 CONECT 1298 1297 1299 CONECT 1299 1298 1300 1304 CONECT 1300 1299 1301 1302 1303 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1300 CONECT 1304 1296 1299 1305 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1297 CONECT 1310 1291 CONECT 1311 1290 CONECT 1312 1289 CONECT 1313 1282 CONECT 1314 1280 CONECT 1315 1275 CONECT 1316 1273 CONECT 1317 1273 CONECT 1318 1272 CONECT 1319 1272 CONECT 1320 1272 MASTER 0 0 0 0 0 0 0 0 1318 2 57 9 END
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Structure:
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Related entries of code: 5o55
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Protein Sequence Similarity
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118aa, >4UYE_1|Chains... *
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116aa, >5C87_1|Chain... at 97%
5d7x
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116aa, >5D7X_1|Chain... at 97%
5dy7
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116aa, >5DY7_1|Chain... at 97%
5dya
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116aa, >5DYA_1|Chain... at 97%
5e3d
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116aa, >5E3D_1|Chain... at 97%
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PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
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116aa, >5EM3_1|Chain... at 97%
5epr
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116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... at 97%
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
5o55
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
9L5
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
1
9
H
2
3
N
5
O
2
Molecular Weight
353.418
Exact Mass
353.185
No. of atoms
49
No. of bonds
51
Polar Surface Area
84.71
LOGP Value
1.95 (
Computed with XLOGP3
)
1.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CCn1c2ccc(cc2[nH]c(=C)c1=O)C(=O)N[C@H](c1cnn(c1C)C)C
InChI String
InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11,21H,3,6H2,1-2,4-5H3,(H,22,25)/t11-/m0/s1
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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