Browse entries in the PDBbind-CN Database
HEADER 5C87_COMPLEX COMPND 5C87_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR SEQRES 2 A 112 LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SEQRES 3 A 112 SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU SEQRES 4 A 112 ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS SEQRES 5 A 112 GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP SEQRES 6 A 112 PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU SEQRES 7 A 112 LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA SEQRES 8 A 112 VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN SEQRES 9 A 112 ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 237 18 ATOM 1 N MET A 628 23.526 -45.706 -1.885 1.00 75.98 N ATOM 2 CA MET A 628 24.031 -44.515 -1.210 1.00 65.11 C ATOM 3 C MET A 628 23.821 -44.601 0.304 1.00 65.08 C ATOM 4 O MET A 628 22.796 -45.106 0.776 1.00 52.34 O ATOM 5 CB MET A 628 23.355 -43.260 -1.769 1.00 66.54 C ATOM 6 CG MET A 628 23.984 -41.952 -1.313 1.00 65.97 C ATOM 7 SD MET A 628 22.975 -40.499 -1.685 1.00 63.09 S ATOM 8 CE MET A 628 23.216 -40.329 -3.453 1.00 64.28 C ATOM 9 HN3 MET A 628 22.508 -45.804 -1.697 1.00 0.00 H ATOM 10 HN2 MET A 628 24.028 -46.544 -1.528 1.00 0.00 H ATOM 11 HN1 MET A 628 23.684 -45.616 -2.909 1.00 0.00 H ATOM 12 N GLN A 629 24.805 -44.114 1.057 1.00 53.93 N ATOM 13 CA GLN A 629 24.740 -44.105 2.516 1.00 46.13 C ATOM 14 C GLN A 629 24.090 -42.829 3.028 1.00 39.56 C ATOM 15 O GLN A 629 24.299 -41.765 2.480 1.00 40.16 O ATOM 16 CB GLN A 629 26.135 -44.253 3.124 1.00 48.06 C ATOM 17 CG GLN A 629 26.675 -45.668 3.104 1.00 59.08 C ATOM 18 CD GLN A 629 27.989 -45.786 3.844 1.00 69.76 C ATOM 19 OE1 GLN A 629 28.630 -44.780 4.155 1.00 76.03 O ATOM 20 NE2 GLN A 629 28.396 -47.014 4.136 1.00 78.19 N ATOM 21 HE22 GLN A 629 27.821 -47.833 3.853 1.00 0.00 H ATOM 22 HE21 GLN A 629 29.290 -47.158 4.648 1.00 0.00 H ATOM 23 H GLN A 629 25.650 -43.726 0.590 1.00 0.00 H ATOM 24 N LEU A 630 23.320 -42.944 4.104 1.00 40.18 N ATOM 25 CA LEU A 630 22.569 -41.808 4.622 1.00 36.56 C ATOM 26 C LEU A 630 23.466 -40.701 5.179 1.00 37.65 C ATOM 27 O LEU A 630 23.297 -39.530 4.834 1.00 34.21 O ATOM 28 CB LEU A 630 21.594 -42.269 5.712 1.00 41.77 C ATOM 29 CG LEU A 630 20.796 -41.113 6.325 1.00 47.48 C ATOM 30 CD1 LEU A 630 19.729 -40.615 5.365 1.00 53.30 C ATOM 31 CD2 LEU A 630 20.202 -41.504 7.672 1.00 61.70 C ATOM 32 H LEU A 630 23.252 -43.863 4.586 1.00 0.00 H ATOM 33 N THR A 631 24.418 -41.063 6.034 1.00 41.76 N ATOM 34 CA THR A 631 25.201 -40.054 6.752 1.00 39.87 C ATOM 35 C THR A 631 25.945 -39.050 5.852 1.00 40.08 C ATOM 36 O THR A 631 25.815 -37.847 6.065 1.00 39.20 O ATOM 37 CB THR A 631 26.205 -40.724 7.715 1.00 40.16 C ATOM 38 OG1 THR A 631 25.475 -41.398 8.745 1.00 49.98 O ATOM 39 CG2 THR A 631 27.115 -39.681 8.351 1.00 51.37 C ATOM 40 HG1 THR A 631 26.110 -41.831 9.368 1.00 0.00 H ATOM 41 H THR A 631 24.609 -42.073 6.195 1.00 0.00 H ATOM 42 N PRO A 632 26.694 -39.519 4.830 1.00 39.87 N ATOM 43 CA PRO A 632 27.355 -38.521 3.973 1.00 36.97 C ATOM 44 C PRO A 632 26.379 -37.647 3.185 1.00 33.81 C ATOM 45 O PRO A 632 26.657 -36.485 2.873 1.00 34.86 O ATOM 46 CB PRO A 632 28.186 -39.379 3.010 1.00 41.83 C ATOM 47 CG PRO A 632 28.317 -40.701 3.673 1.00 48.35 C ATOM 48 CD PRO A 632 27.035 -40.892 4.418 1.00 44.23 C ATOM 49 N PHE A 633 25.233 -38.218 2.845 1.00 34.70 N ATOM 50 CA PHE A 633 24.241 -37.455 2.125 1.00 30.43 C ATOM 51 C PHE A 633 23.717 -36.341 3.010 1.00 28.41 C ATOM 52 O PHE A 633 23.572 -35.209 2.552 1.00 29.02 O ATOM 53 CB PHE A 633 23.099 -38.367 1.652 1.00 33.40 C ATOM 54 CG PHE A 633 22.018 -37.634 0.921 1.00 29.51 C ATOM 55 CD1 PHE A 633 22.268 -37.076 -0.323 1.00 29.48 C ATOM 56 CD2 PHE A 633 20.765 -37.473 1.484 1.00 32.13 C ATOM 57 CE1 PHE A 633 21.287 -36.373 -0.999 1.00 34.72 C ATOM 58 CE2 PHE A 633 19.772 -36.778 0.804 1.00 27.90 C ATOM 59 CZ PHE A 633 20.035 -36.229 -0.433 1.00 30.02 C ATOM 60 H PHE A 633 25.049 -39.210 3.095 1.00 0.00 H ATOM 61 N LEU A 634 23.407 -36.655 4.264 1.00 34.58 N ATOM 62 CA LEU A 634 22.857 -35.631 5.144 1.00 30.42 C ATOM 63 C LEU A 634 23.917 -34.582 5.457 1.00 32.66 C ATOM 64 O LEU A 634 23.601 -33.405 5.592 1.00 32.25 O ATOM 65 CB LEU A 634 22.310 -36.246 6.431 1.00 34.24 C ATOM 66 CG LEU A 634 21.090 -37.169 6.290 1.00 35.93 C ATOM 67 CD1 LEU A 634 20.632 -37.634 7.657 1.00 44.51 C ATOM 68 CD2 LEU A 634 19.959 -36.481 5.552 1.00 39.96 C ATOM 69 H LEU A 634 23.556 -37.623 4.614 1.00 0.00 H ATOM 70 N ILE A 635 25.176 -35.002 5.555 1.00 33.45 N ATOM 71 CA ILE A 635 26.271 -34.043 5.735 1.00 34.81 C ATOM 72 C ILE A 635 26.330 -33.064 4.559 1.00 35.68 C ATOM 73 O ILE A 635 26.495 -31.854 4.744 1.00 33.36 O ATOM 74 CB ILE A 635 27.625 -34.757 5.896 1.00 34.71 C ATOM 75 CG1 ILE A 635 27.662 -35.491 7.237 1.00 38.35 C ATOM 76 CG2 ILE A 635 28.772 -33.750 5.831 1.00 36.56 C ATOM 77 CD1 ILE A 635 28.804 -36.480 7.394 1.00 37.62 C ATOM 78 H ILE A 635 25.385 -36.019 5.503 1.00 0.00 H ATOM 79 N LEU A 636 26.181 -33.592 3.350 1.00 30.72 N ATOM 80 CA LEU A 636 26.143 -32.767 2.151 1.00 28.19 C ATOM 81 C LEU A 636 24.966 -31.806 2.169 1.00 25.64 C ATOM 82 O LEU A 636 25.115 -30.619 1.822 1.00 29.41 O ATOM 83 CB LEU A 636 26.086 -33.648 0.902 1.00 31.27 C ATOM 84 CG LEU A 636 25.891 -32.927 -0.427 1.00 33.29 C ATOM 85 CD1 LEU A 636 27.009 -31.933 -0.700 1.00 32.88 C ATOM 86 CD2 LEU A 636 25.785 -33.933 -1.559 1.00 42.47 C ATOM 87 H LEU A 636 26.089 -34.624 3.257 1.00 0.00 H ATOM 88 N LEU A 637 23.790 -32.300 2.558 1.00 27.27 N ATOM 89 CA LEU A 637 22.621 -31.428 2.585 1.00 26.57 C ATOM 90 C LEU A 637 22.772 -30.336 3.642 1.00 24.89 C ATOM 91 O LEU A 637 22.351 -29.208 3.406 1.00 26.77 O ATOM 92 CB LEU A 637 21.327 -32.201 2.829 1.00 29.98 C ATOM 93 CG LEU A 637 20.796 -33.071 1.689 1.00 29.12 C ATOM 94 CD1 LEU A 637 19.392 -33.499 2.047 1.00 30.63 C ATOM 95 CD2 LEU A 637 20.815 -32.355 0.345 1.00 30.03 C ATOM 96 H LEU A 637 23.707 -33.298 2.840 1.00 0.00 H ATOM 97 N ARG A 638 23.383 -30.654 4.779 1.00 27.66 N ATOM 98 CA ARG A 638 23.606 -29.651 5.818 1.00 28.05 C ATOM 99 C ARG A 638 24.499 -28.546 5.299 1.00 29.74 C ATOM 100 O ARG A 638 24.210 -27.369 5.495 1.00 31.03 O ATOM 101 CB ARG A 638 24.225 -30.271 7.077 1.00 30.95 C ATOM 102 CG ARG A 638 23.245 -31.094 7.869 1.00 35.76 C ATOM 103 CD ARG A 638 23.857 -31.642 9.153 1.00 38.80 C ATOM 104 NE ARG A 638 22.950 -32.636 9.714 1.00 38.56 N ATOM 105 CZ ARG A 638 23.147 -33.949 9.682 1.00 43.27 C ATOM 106 NH1 ARG A 638 24.256 -34.452 9.159 1.00 48.49 N ATOM 107 NH2 ARG A 638 22.232 -34.759 10.194 1.00 45.27 N ATOM 108 HE ARG A 638 22.083 -32.291 10.174 1.00 0.00 H ATOM 109 HH12 ARG A 638 24.401 -35.482 9.139 1.00 0.00 H ATOM 110 HH11 ARG A 638 24.981 -33.817 8.769 1.00 0.00 H ATOM 111 HH22 ARG A 638 22.379 -35.788 10.173 1.00 0.00 H ATOM 112 HH21 ARG A 638 21.367 -34.365 10.617 1.00 0.00 H ATOM 113 H ARG A 638 23.707 -31.630 4.931 1.00 0.00 H ATOM 114 N LYS A 639 25.571 -28.926 4.612 1.00 30.46 N ATOM 115 CA LYS A 639 26.486 -27.935 4.043 1.00 29.35 C ATOM 116 C LYS A 639 25.787 -27.091 2.993 1.00 31.01 C ATOM 117 O LYS A 639 25.984 -25.870 2.911 1.00 29.89 O ATOM 118 CB LYS A 639 27.700 -28.618 3.416 1.00 32.99 C ATOM 119 CG LYS A 639 28.738 -27.628 2.898 1.00 40.30 C ATOM 120 CD LYS A 639 29.526 -28.185 1.726 1.00 60.02 C ATOM 121 CE LYS A 639 30.246 -29.467 2.094 1.00 73.14 C ATOM 122 NZ LYS A 639 31.107 -29.944 0.976 1.00 82.19 N ATOM 123 HZ1 LYS A 639 30.517 -30.124 0.138 1.00 0.00 H ATOM 124 HZ2 LYS A 639 31.817 -29.218 0.752 1.00 0.00 H ATOM 125 HZ3 LYS A 639 31.586 -30.823 1.259 1.00 0.00 H ATOM 126 H LYS A 639 25.762 -29.939 4.477 1.00 0.00 H ATOM 127 N THR A 640 24.988 -27.747 2.161 1.00 26.50 N ATOM 128 CA THR A 640 24.294 -27.076 1.087 1.00 24.80 C ATOM 129 C THR A 640 23.298 -26.066 1.645 1.00 26.99 C ATOM 130 O THR A 640 23.205 -24.945 1.159 1.00 24.93 O ATOM 131 CB THR A 640 23.591 -28.092 0.188 1.00 24.63 C ATOM 132 OG1 THR A 640 24.574 -29.008 -0.308 1.00 28.22 O ATOM 133 CG2 THR A 640 22.927 -27.384 -0.984 1.00 27.03 C ATOM 134 HG1 THR A 640 25.007 -29.469 0.453 1.00 0.00 H ATOM 135 H THR A 640 24.858 -28.771 2.286 1.00 0.00 H ATOM 136 N LEU A 641 22.572 -26.462 2.685 1.00 27.84 N ATOM 137 CA LEU A 641 21.613 -25.563 3.306 1.00 26.50 C ATOM 138 C LEU A 641 22.334 -24.352 3.901 1.00 28.17 C ATOM 139 O LEU A 641 21.850 -23.227 3.778 1.00 30.99 O ATOM 140 CB LEU A 641 20.793 -26.309 4.368 1.00 27.62 C ATOM 141 CG LEU A 641 19.656 -25.540 5.040 1.00 31.23 C ATOM 142 CD1 LEU A 641 18.622 -25.091 4.026 1.00 28.52 C ATOM 143 CD2 LEU A 641 19.005 -26.426 6.093 1.00 32.72 C ATOM 144 H LEU A 641 22.691 -27.425 3.059 1.00 0.00 H ATOM 145 N GLU A 642 23.501 -24.573 4.504 1.00 26.85 N ATOM 146 CA GLU A 642 24.286 -23.468 5.045 1.00 30.35 C ATOM 147 C GLU A 642 24.693 -22.523 3.924 1.00 34.53 C ATOM 148 O GLU A 642 24.619 -21.306 4.077 1.00 30.60 O ATOM 149 CB GLU A 642 25.511 -23.979 5.781 1.00 32.50 C ATOM 150 CG GLU A 642 25.201 -24.418 7.202 1.00 40.02 C ATOM 151 CD GLU A 642 26.424 -24.904 7.953 1.00 61.65 C ATOM 152 OE1 GLU A 642 27.550 -24.716 7.447 1.00 70.93 O ATOM 153 OE2 GLU A 642 26.257 -25.466 9.057 1.00 71.32 O ATOM 154 H GLU A 642 23.858 -25.546 4.590 1.00 0.00 H ATOM 155 N GLN A 643 25.095 -23.087 2.787 1.00 26.91 N ATOM 156 CA GLN A 643 25.514 -22.271 1.641 1.00 26.59 C ATOM 157 C GLN A 643 24.373 -21.443 1.071 1.00 26.46 C ATOM 158 O GLN A 643 24.565 -20.300 0.642 1.00 28.58 O ATOM 159 CB GLN A 643 26.112 -23.161 0.547 1.00 28.99 C ATOM 160 CG GLN A 643 27.453 -23.739 0.960 1.00 31.29 C ATOM 161 CD GLN A 643 28.008 -24.774 -0.005 1.00 35.46 C ATOM 162 OE1 GLN A 643 27.264 -25.467 -0.695 1.00 36.14 O ATOM 163 NE2 GLN A 643 29.336 -24.897 -0.037 1.00 38.67 N ATOM 164 HE22 GLN A 643 29.929 -24.290 0.564 1.00 0.00 H ATOM 165 HE21 GLN A 643 29.778 -25.600 -0.663 1.00 0.00 H ATOM 166 H GLN A 643 25.112 -24.124 2.709 1.00 0.00 H ATOM 167 N LEU A 644 23.178 -22.018 1.049 1.00 25.75 N ATOM 168 CA LEU A 644 22.013 -21.314 0.556 1.00 23.26 C ATOM 169 C LEU A 644 21.649 -20.181 1.504 1.00 25.17 C ATOM 170 O LEU A 644 21.354 -19.055 1.080 1.00 27.32 O ATOM 171 CB LEU A 644 20.842 -22.286 0.412 1.00 24.66 C ATOM 172 CG LEU A 644 20.986 -23.297 -0.721 1.00 24.68 C ATOM 173 CD1 LEU A 644 19.858 -24.342 -0.597 1.00 25.61 C ATOM 174 CD2 LEU A 644 20.939 -22.614 -2.081 1.00 23.43 C ATOM 175 H LEU A 644 23.076 -22.994 1.393 1.00 0.00 H ATOM 176 N GLN A 645 21.678 -20.486 2.787 1.00 28.37 N ATOM 177 CA GLN A 645 21.399 -19.500 3.818 1.00 29.18 C ATOM 178 C GLN A 645 22.359 -18.323 3.706 1.00 31.89 C ATOM 179 O GLN A 645 21.960 -17.178 3.906 1.00 32.47 O ATOM 180 CB GLN A 645 21.487 -20.148 5.199 1.00 40.61 C ATOM 181 CG GLN A 645 20.775 -19.376 6.275 1.00 55.99 C ATOM 182 CD GLN A 645 19.788 -20.216 7.057 1.00 57.10 C ATOM 183 OE1 GLN A 645 19.921 -21.442 7.154 1.00 51.93 O ATOM 184 NE2 GLN A 645 18.783 -19.555 7.624 1.00 52.22 N ATOM 185 HE22 GLN A 645 18.712 -18.523 7.515 1.00 0.00 H ATOM 186 HE21 GLN A 645 18.068 -20.070 8.176 1.00 0.00 H ATOM 187 H GLN A 645 21.907 -21.460 3.069 1.00 0.00 H ATOM 188 N GLU A 646 23.613 -18.602 3.356 1.00 30.04 N ATOM 189 CA GLU A 646 24.617 -17.552 3.172 1.00 30.85 C ATOM 190 C GLU A 646 24.253 -16.559 2.071 1.00 32.74 C ATOM 191 O GLU A 646 24.661 -15.390 2.121 1.00 32.34 O ATOM 192 CB GLU A 646 25.973 -18.170 2.846 1.00 32.97 C ATOM 193 CG GLU A 646 26.709 -18.755 4.025 1.00 40.83 C ATOM 194 CD GLU A 646 28.039 -19.344 3.611 1.00 60.07 C ATOM 195 OE1 GLU A 646 28.535 -18.963 2.526 1.00 64.01 O ATOM 196 OE2 GLU A 646 28.589 -20.175 4.364 1.00 68.07 O ATOM 197 H GLU A 646 23.887 -19.594 3.209 1.00 0.00 H ATOM 198 N LYS A 647 23.529 -17.019 1.057 1.00 28.85 N ATOM 199 CA LYS A 647 23.105 -16.141 -0.042 1.00 25.25 C ATOM 200 C LYS A 647 21.981 -15.198 0.366 1.00 30.30 C ATOM 201 O LYS A 647 21.780 -14.141 -0.259 1.00 31.28 O ATOM 202 CB LYS A 647 22.662 -16.964 -1.246 1.00 30.00 C ATOM 203 CG LYS A 647 23.716 -17.897 -1.785 1.00 28.98 C ATOM 204 CD LYS A 647 24.980 -17.142 -2.128 1.00 31.44 C ATOM 205 CE LYS A 647 25.974 -18.049 -2.821 1.00 35.11 C ATOM 206 NZ LYS A 647 27.243 -17.327 -3.049 1.00 34.19 N ATOM 207 HZ1 LYS A 647 27.064 -16.494 -3.646 1.00 0.00 H ATOM 208 HZ2 LYS A 647 27.636 -17.022 -2.136 1.00 0.00 H ATOM 209 HZ3 LYS A 647 27.919 -17.958 -3.525 1.00 0.00 H ATOM 210 H LYS A 647 23.256 -18.022 1.041 1.00 0.00 H ATOM 211 N ASP A 648 21.258 -15.572 1.414 1.00 27.35 N ATOM 212 CA ASP A 648 20.165 -14.764 1.949 1.00 28.73 C ATOM 213 C ASP A 648 20.751 -13.834 3.009 1.00 28.28 C ATOM 214 O ASP A 648 20.632 -14.054 4.220 1.00 30.24 O ATOM 215 CB ASP A 648 19.059 -15.679 2.508 1.00 28.47 C ATOM 216 CG ASP A 648 17.957 -14.923 3.227 1.00 33.71 C ATOM 217 OD1 ASP A 648 17.739 -13.721 2.935 1.00 30.72 O ATOM 218 OD2 ASP A 648 17.311 -15.544 4.099 1.00 33.37 O ATOM 219 H ASP A 648 21.479 -16.478 1.874 1.00 0.00 H ATOM 220 N THR A 649 21.419 -12.783 2.538 1.00 33.39 N ATOM 221 CA THR A 649 22.201 -11.937 3.432 1.00 36.17 C ATOM 222 C THR A 649 21.334 -11.106 4.374 1.00 37.48 C ATOM 223 O THR A 649 21.752 -10.774 5.484 1.00 39.65 O ATOM 224 CB THR A 649 23.100 -11.003 2.640 1.00 34.22 C ATOM 225 OG1 THR A 649 22.288 -10.185 1.796 1.00 36.18 O ATOM 226 CG2 THR A 649 24.064 -11.790 1.776 1.00 32.75 C ATOM 227 HG1 THR A 649 22.867 -9.573 1.276 1.00 0.00 H ATOM 228 H THR A 649 21.383 -12.563 1.522 1.00 0.00 H ATOM 229 N GLY A 650 20.129 -10.767 3.928 1.00 31.97 N ATOM 230 CA GLY A 650 19.186 -10.072 4.779 1.00 35.46 C ATOM 231 C GLY A 650 18.462 -10.966 5.763 1.00 40.64 C ATOM 232 O GLY A 650 17.722 -10.478 6.618 1.00 46.44 O ATOM 233 H GLY A 650 19.859 -11.005 2.952 1.00 0.00 H ATOM 234 N ASN A 651 18.671 -12.277 5.638 1.00 32.40 N ATOM 235 CA ASN A 651 17.999 -13.260 6.477 1.00 40.31 C ATOM 236 C ASN A 651 16.479 -13.150 6.387 1.00 35.10 C ATOM 237 O ASN A 651 15.778 -13.371 7.369 1.00 42.84 O ATOM 238 CB ASN A 651 18.440 -13.119 7.940 1.00 39.05 C ATOM 239 CG ASN A 651 19.790 -13.758 8.216 1.00 46.96 C ATOM 240 OD1 ASN A 651 20.427 -14.314 7.322 1.00 48.99 O ATOM 241 ND2 ASN A 651 20.241 -13.665 9.464 1.00 49.59 N ATOM 242 HD22 ASN A 651 19.670 -13.186 10.189 1.00 0.00 H ATOM 243 HD21 ASN A 651 21.165 -14.071 9.715 1.00 0.00 H ATOM 244 H ASN A 651 19.339 -12.610 4.914 1.00 0.00 H ATOM 245 N ILE A 652 15.948 -12.826 5.215 1.00 37.71 N ATOM 246 CA ILE A 652 14.505 -12.668 5.157 1.00 37.42 C ATOM 247 C ILE A 652 13.821 -14.016 4.983 1.00 31.88 C ATOM 248 O ILE A 652 12.616 -14.126 5.169 1.00 38.10 O ATOM 249 CB ILE A 652 14.072 -11.695 4.055 1.00 47.15 C ATOM 250 CG1 ILE A 652 14.273 -12.289 2.679 1.00 45.75 C ATOM 251 CG2 ILE A 652 14.828 -10.373 4.181 1.00 53.66 C ATOM 252 CD1 ILE A 652 13.777 -11.382 1.601 1.00 53.76 C ATOM 253 H ILE A 652 16.541 -12.691 4.372 1.00 0.00 H ATOM 254 N PHE A 653 14.599 -15.048 4.667 1.00 28.20 N ATOM 255 CA PHE A 653 14.036 -16.390 4.510 1.00 25.29 C ATOM 256 C PHE A 653 14.467 -17.357 5.611 1.00 30.44 C ATOM 257 O PHE A 653 14.282 -18.560 5.482 1.00 28.64 O ATOM 258 CB PHE A 653 14.436 -16.975 3.163 1.00 27.40 C ATOM 259 CG PHE A 653 14.091 -16.107 2.000 1.00 26.43 C ATOM 260 CD1 PHE A 653 12.778 -15.929 1.616 1.00 27.97 C ATOM 261 CD2 PHE A 653 15.085 -15.455 1.293 1.00 26.31 C ATOM 262 CE1 PHE A 653 12.461 -15.127 0.549 1.00 27.77 C ATOM 263 CE2 PHE A 653 14.775 -14.645 0.223 1.00 25.76 C ATOM 264 CZ PHE A 653 13.461 -14.484 -0.157 1.00 25.07 C ATOM 265 H PHE A 653 15.619 -14.899 4.530 1.00 0.00 H ATOM 266 N SER A 654 15.047 -16.834 6.682 1.00 34.22 N ATOM 267 CA SER A 654 15.615 -17.678 7.731 1.00 33.34 C ATOM 268 C SER A 654 14.553 -18.350 8.591 1.00 38.38 C ATOM 269 O SER A 654 14.775 -19.440 9.117 1.00 38.14 O ATOM 270 CB SER A 654 16.545 -16.858 8.623 1.00 35.58 C ATOM 271 OG SER A 654 17.591 -16.276 7.872 1.00 37.60 O ATOM 272 HG SER A 654 18.120 -16.990 7.436 1.00 0.00 H ATOM 273 H SER A 654 15.099 -15.800 6.778 1.00 0.00 H ATOM 274 N GLU A 655 13.410 -17.692 8.739 1.00 35.57 N ATOM 275 CA GLU A 655 12.353 -18.176 9.619 1.00 36.30 C ATOM 276 C GLU A 655 11.011 -18.094 8.902 1.00 33.67 C ATOM 277 O GLU A 655 10.897 -17.418 7.884 1.00 34.85 O ATOM 278 CB GLU A 655 12.348 -17.365 10.922 1.00 43.28 C ATOM 279 CG GLU A 655 13.582 -17.612 11.776 1.00 47.65 C ATOM 280 CD GLU A 655 13.743 -16.611 12.903 1.00 63.13 C ATOM 281 OE1 GLU A 655 12.959 -15.640 12.967 1.00 63.11 O ATOM 282 OE2 GLU A 655 14.663 -16.798 13.726 1.00 73.34 O ATOM 283 H GLU A 655 13.264 -16.807 8.213 1.00 0.00 H ATOM 284 N PRO A 656 9.998 -18.813 9.405 1.00 38.96 N ATOM 285 CA PRO A 656 8.678 -18.733 8.776 1.00 31.81 C ATOM 286 C PRO A 656 8.171 -17.304 8.681 1.00 35.85 C ATOM 287 O PRO A 656 8.445 -16.493 9.569 1.00 40.65 O ATOM 288 CB PRO A 656 7.791 -19.556 9.721 1.00 35.57 C ATOM 289 CG PRO A 656 8.716 -20.547 10.322 1.00 43.91 C ATOM 290 CD PRO A 656 10.052 -19.855 10.446 1.00 36.20 C ATOM 291 N VAL A 657 7.469 -17.000 7.594 1.00 38.85 N ATOM 292 CA VAL A 657 6.770 -15.731 7.478 1.00 36.69 C ATOM 293 C VAL A 657 5.838 -15.593 8.666 1.00 39.98 C ATOM 294 O VAL A 657 4.967 -16.438 8.860 1.00 48.46 O ATOM 295 CB VAL A 657 5.970 -15.643 6.170 1.00 32.67 C ATOM 296 CG1 VAL A 657 5.088 -14.402 6.171 1.00 37.90 C ATOM 297 CG2 VAL A 657 6.908 -15.646 4.961 1.00 31.65 C ATOM 298 H VAL A 657 7.419 -17.683 6.812 1.00 0.00 H ATOM 299 N PRO A 658 6.033 -14.546 9.484 1.00 43.98 N ATOM 300 CA PRO A 658 5.217 -14.363 10.689 1.00 48.74 C ATOM 301 C PRO A 658 3.754 -14.138 10.346 1.00 52.45 C ATOM 302 O PRO A 658 3.393 -13.051 9.895 1.00 53.82 O ATOM 303 CB PRO A 658 5.819 -13.113 11.345 1.00 53.18 C ATOM 304 CG PRO A 658 7.190 -13.000 10.773 1.00 55.42 C ATOM 305 CD PRO A 658 7.087 -13.523 9.375 1.00 44.93 C ATOM 306 N LEU A 659 2.926 -15.153 10.567 1.00 57.57 N ATOM 307 CA LEU A 659 1.510 -15.074 10.228 1.00 58.66 C ATOM 308 C LEU A 659 0.799 -14.018 11.063 1.00 64.87 C ATOM 309 O LEU A 659 -0.278 -13.546 10.695 1.00 59.86 O ATOM 310 CB LEU A 659 0.835 -16.436 10.412 1.00 57.80 C ATOM 311 CG LEU A 659 1.343 -17.551 9.491 1.00 57.42 C ATOM 312 CD1 LEU A 659 0.570 -18.839 9.723 1.00 63.66 C ATOM 313 CD2 LEU A 659 1.271 -17.132 8.031 1.00 62.08 C ATOM 314 H LEU A 659 3.297 -16.026 10.993 1.00 0.00 H ATOM 315 N SER A 660 1.400 -13.650 12.190 1.00 65.34 N ATOM 316 CA SER A 660 0.832 -12.612 13.036 1.00 71.12 C ATOM 317 C SER A 660 1.017 -11.237 12.403 1.00 70.10 C ATOM 318 O SER A 660 0.252 -10.316 12.678 1.00 70.18 O ATOM 319 CB SER A 660 1.461 -12.641 14.433 1.00 70.02 C ATOM 320 OG SER A 660 2.870 -12.507 14.369 1.00 76.63 O ATOM 321 HG SER A 660 3.244 -12.530 15.285 1.00 0.00 H ATOM 322 H SER A 660 2.289 -14.111 12.471 1.00 0.00 H ATOM 323 N GLU A 661 2.025 -11.099 11.546 1.00 57.69 N ATOM 324 CA GLU A 661 2.312 -9.797 10.954 1.00 69.37 C ATOM 325 C GLU A 661 1.922 -9.770 9.484 1.00 68.40 C ATOM 326 O GLU A 661 1.772 -8.706 8.883 1.00 63.44 O ATOM 327 CB GLU A 661 3.787 -9.447 11.134 1.00 73.11 C ATOM 328 CG GLU A 661 4.336 -9.884 12.479 1.00 82.40 C ATOM 329 CD GLU A 661 5.624 -9.178 12.842 1.00 88.73 C ATOM 330 OE1 GLU A 661 6.469 -8.979 11.942 1.00 86.42 O ATOM 331 OE2 GLU A 661 5.787 -8.818 14.029 1.00 92.80 O ATOM 332 H GLU A 661 2.610 -11.922 11.297 1.00 0.00 H ATOM 333 N VAL A 662 1.753 -10.956 8.915 1.00 65.82 N ATOM 334 CA VAL A 662 1.225 -11.096 7.567 1.00 60.02 C ATOM 335 C VAL A 662 -0.006 -11.995 7.631 1.00 58.34 C ATOM 336 O VAL A 662 0.049 -13.168 7.258 1.00 60.66 O ATOM 337 CB VAL A 662 2.277 -11.673 6.607 1.00 54.10 C ATOM 338 CG1 VAL A 662 1.808 -11.564 5.172 1.00 50.50 C ATOM 339 CG2 VAL A 662 3.598 -10.939 6.778 1.00 55.35 C ATOM 340 H VAL A 662 2.006 -11.812 9.449 1.00 0.00 H ATOM 341 N PRO A 663 -1.127 -11.443 8.120 1.00 60.98 N ATOM 342 CA PRO A 663 -2.326 -12.225 8.436 1.00 57.30 C ATOM 343 C PRO A 663 -2.966 -12.921 7.241 1.00 63.85 C ATOM 344 O PRO A 663 -3.633 -13.936 7.427 1.00 67.10 O ATOM 345 CB PRO A 663 -3.287 -11.172 9.011 1.00 67.36 C ATOM 346 CG PRO A 663 -2.405 -10.057 9.467 1.00 70.35 C ATOM 347 CD PRO A 663 -1.299 -10.021 8.463 1.00 62.27 C ATOM 348 N ASP A 664 -2.770 -12.391 6.039 1.00 62.65 N ATOM 349 CA ASP A 664 -3.428 -12.948 4.859 1.00 56.44 C ATOM 350 C ASP A 664 -2.535 -13.924 4.097 1.00 51.43 C ATOM 351 O ASP A 664 -2.880 -14.360 3.000 1.00 50.86 O ATOM 352 CB ASP A 664 -3.881 -11.823 3.922 1.00 50.89 C ATOM 353 CG ASP A 664 -2.722 -11.171 3.181 1.00 61.45 C ATOM 354 OD1 ASP A 664 -1.603 -11.117 3.734 1.00 63.74 O ATOM 355 OD2 ASP A 664 -2.935 -10.707 2.041 1.00 61.97 O ATOM 356 H ASP A 664 -2.141 -11.570 5.936 1.00 0.00 H ATOM 357 N TYR A 665 -1.396 -14.273 4.688 1.00 53.72 N ATOM 358 CA TYR A 665 -0.378 -15.049 3.987 1.00 48.92 C ATOM 359 C TYR A 665 -0.875 -16.434 3.579 1.00 47.24 C ATOM 360 O TYR A 665 -0.627 -16.881 2.462 1.00 46.47 O ATOM 361 CB TYR A 665 0.878 -15.181 4.848 1.00 46.90 C ATOM 362 CG TYR A 665 2.075 -15.703 4.086 1.00 38.29 C ATOM 363 CD1 TYR A 665 2.712 -14.911 3.141 1.00 36.04 C ATOM 364 CD2 TYR A 665 2.573 -16.980 4.312 1.00 39.92 C ATOM 365 CE1 TYR A 665 3.800 -15.376 2.438 1.00 33.61 C ATOM 366 CE2 TYR A 665 3.670 -17.452 3.613 1.00 34.71 C ATOM 367 CZ TYR A 665 4.278 -16.647 2.677 1.00 34.30 C ATOM 368 OH TYR A 665 5.374 -17.106 1.975 1.00 33.52 O ATOM 369 HH TYR A 665 5.682 -16.403 1.349 1.00 0.00 H ATOM 370 H TYR A 665 -1.227 -13.986 5.673 1.00 0.00 H ATOM 371 N LEU A 666 -1.586 -17.106 4.480 1.00 51.92 N ATOM 372 CA LEU A 666 -2.064 -18.456 4.203 1.00 58.88 C ATOM 373 C LEU A 666 -3.254 -18.469 3.244 1.00 62.54 C ATOM 374 O LEU A 666 -3.632 -19.521 2.729 1.00 63.82 O ATOM 375 CB LEU A 666 -2.432 -19.167 5.505 1.00 60.81 C ATOM 376 CG LEU A 666 -1.239 -19.700 6.299 1.00 54.70 C ATOM 377 CD1 LEU A 666 -1.709 -20.576 7.449 1.00 59.38 C ATOM 378 CD2 LEU A 666 -0.303 -20.463 5.381 1.00 55.51 C ATOM 379 H LEU A 666 -1.804 -16.663 5.395 1.00 0.00 H ATOM 380 N ASP A 667 -3.838 -17.301 3.001 1.00 60.21 N ATOM 381 CA ASP A 667 -4.898 -17.178 2.007 1.00 64.17 C ATOM 382 C ASP A 667 -4.351 -17.377 0.595 1.00 58.65 C ATOM 383 O ASP A 667 -5.079 -17.781 -0.310 1.00 61.74 O ATOM 384 CB ASP A 667 -5.588 -15.815 2.114 1.00 71.64 C ATOM 385 CG ASP A 667 -6.168 -15.557 3.493 1.00 77.95 C ATOM 386 OD1 ASP A 667 -6.481 -16.536 4.203 1.00 82.74 O ATOM 387 OD2 ASP A 667 -6.315 -14.374 3.865 1.00 80.79 O ATOM 388 H ASP A 667 -3.534 -16.459 3.529 1.00 0.00 H ATOM 389 N HIS A 668 -3.063 -17.096 0.417 1.00 50.05 N ATOM 390 CA HIS A 668 -2.439 -17.138 -0.901 1.00 46.35 C ATOM 391 C HIS A 668 -1.423 -18.267 -1.038 1.00 46.33 C ATOM 392 O HIS A 668 -1.238 -18.826 -2.119 1.00 55.02 O ATOM 393 CB HIS A 668 -1.747 -15.803 -1.197 1.00 54.02 C ATOM 394 CG HIS A 668 -2.615 -14.607 -0.967 1.00 64.80 C ATOM 395 ND1 HIS A 668 -3.602 -14.222 -1.849 1.00 68.75 N ATOM 396 CD2 HIS A 668 -2.644 -13.706 0.044 1.00 70.78 C ATOM 397 CE1 HIS A 668 -4.202 -13.137 -1.391 1.00 71.57 C ATOM 398 NE2 HIS A 668 -3.639 -12.806 -0.241 1.00 68.91 N ATOM 399 H HIS A 668 -2.484 -16.839 1.242 1.00 0.00 H ATOM 400 N ILE A 669 -0.762 -18.593 0.066 1.00 47.60 N ATOM 401 CA ILE A 669 0.353 -19.531 0.045 1.00 44.41 C ATOM 402 C ILE A 669 -0.023 -20.868 0.682 1.00 46.04 C ATOM 403 O ILE A 669 -0.241 -20.948 1.888 1.00 46.92 O ATOM 404 CB ILE A 669 1.571 -18.937 0.769 1.00 46.14 C ATOM 405 CG1 ILE A 669 1.939 -17.581 0.156 1.00 45.21 C ATOM 406 CG2 ILE A 669 2.743 -19.903 0.724 1.00 38.54 C ATOM 407 CD1 ILE A 669 2.178 -17.630 -1.346 1.00 37.86 C ATOM 408 H ILE A 669 -1.048 -18.167 0.971 1.00 0.00 H ATOM 409 N LYS A 670 -0.079 -21.917 -0.132 1.00 39.83 N ATOM 410 CA LYS A 670 -0.588 -23.207 0.335 1.00 44.78 C ATOM 411 C LYS A 670 0.432 -23.938 1.203 1.00 39.68 C ATOM 412 O LYS A 670 0.061 -24.613 2.165 1.00 46.49 O ATOM 413 CB LYS A 670 -1.008 -24.084 -0.850 1.00 55.01 C ATOM 414 CG LYS A 670 -0.006 -24.142 -1.984 1.00 61.63 C ATOM 415 CD LYS A 670 -0.536 -24.954 -3.158 1.00 64.13 C ATOM 416 CE LYS A 670 -0.962 -26.351 -2.726 1.00 67.98 C ATOM 417 H LYS A 670 0.244 -21.820 -1.116 1.00 0.00 H ATOM 418 N LYS A 671 1.712 -23.788 0.876 1.00 40.13 N ATOM 419 CA LYS A 671 2.770 -24.409 1.660 1.00 33.62 C ATOM 420 C LYS A 671 3.898 -23.432 1.948 1.00 30.27 C ATOM 421 O LYS A 671 4.834 -23.317 1.159 1.00 33.38 O ATOM 422 CB LYS A 671 3.336 -25.643 0.949 1.00 37.28 C ATOM 423 CG LYS A 671 4.353 -26.415 1.799 1.00 49.42 C ATOM 424 CD LYS A 671 4.753 -27.747 1.177 1.00 46.53 C ATOM 425 CE LYS A 671 5.727 -28.498 2.081 1.00 45.69 C ATOM 426 NZ LYS A 671 6.319 -29.695 1.422 1.00 56.09 N ATOM 427 HZ1 LYS A 671 5.560 -30.354 1.155 1.00 0.00 H ATOM 428 HZ2 LYS A 671 6.838 -29.399 0.571 1.00 0.00 H ATOM 429 HZ3 LYS A 671 6.971 -30.165 2.081 1.00 0.00 H ATOM 430 H LYS A 671 1.962 -23.216 0.044 1.00 0.00 H ATOM 431 N PRO A 672 3.817 -22.741 3.093 1.00 37.13 N ATOM 432 CA PRO A 672 4.927 -21.881 3.519 1.00 34.91 C ATOM 433 C PRO A 672 6.222 -22.667 3.658 1.00 32.84 C ATOM 434 O PRO A 672 6.180 -23.849 4.008 1.00 37.51 O ATOM 435 CB PRO A 672 4.471 -21.363 4.884 1.00 35.04 C ATOM 436 CG PRO A 672 3.000 -21.534 4.896 1.00 43.80 C ATOM 437 CD PRO A 672 2.718 -22.748 4.070 1.00 39.54 C ATOM 438 N MET A 673 7.354 -22.024 3.389 1.00 29.52 N ATOM 439 CA MET A 673 8.637 -22.667 3.608 1.00 28.22 C ATOM 440 C MET A 673 9.695 -21.617 3.951 1.00 26.65 C ATOM 441 O MET A 673 9.574 -20.444 3.580 1.00 32.06 O ATOM 442 CB MET A 673 9.043 -23.494 2.385 1.00 27.25 C ATOM 443 CG MET A 673 10.262 -24.388 2.581 1.00 29.69 C ATOM 444 SD MET A 673 10.165 -25.496 4.007 1.00 29.96 S ATOM 445 CE MET A 673 8.654 -26.395 3.660 1.00 31.29 C ATOM 446 H MET A 673 7.320 -21.053 3.019 1.00 0.00 H ATOM 447 N ASP A 674 10.721 -22.053 4.670 1.00 28.22 N ATOM 448 CA ASP A 674 11.805 -21.186 5.121 1.00 26.84 C ATOM 449 C ASP A 674 12.992 -22.053 5.502 1.00 28.82 C ATOM 450 O ASP A 674 12.854 -23.266 5.632 1.00 28.89 O ATOM 451 CB ASP A 674 11.357 -20.363 6.317 1.00 32.42 C ATOM 452 CG ASP A 674 11.075 -21.229 7.507 1.00 30.01 C ATOM 453 OD1 ASP A 674 9.940 -21.745 7.617 1.00 35.26 O ATOM 454 OD2 ASP A 674 12.004 -21.445 8.302 1.00 33.45 O ATOM 455 H ASP A 674 10.755 -23.061 4.924 1.00 0.00 H ATOM 456 N PHE A 675 14.152 -21.451 5.724 1.00 27.36 N ATOM 457 CA PHE A 675 15.335 -22.264 5.971 1.00 29.82 C ATOM 458 C PHE A 675 15.322 -22.978 7.325 1.00 31.10 C ATOM 459 O PHE A 675 15.905 -24.050 7.451 1.00 29.97 O ATOM 460 CB PHE A 675 16.597 -21.420 5.868 1.00 26.47 C ATOM 461 CG PHE A 675 16.948 -21.001 4.471 1.00 25.78 C ATOM 462 CD1 PHE A 675 17.038 -21.922 3.435 1.00 28.59 C ATOM 463 CD2 PHE A 675 17.192 -19.671 4.196 1.00 27.13 C ATOM 464 CE1 PHE A 675 17.382 -21.498 2.154 1.00 26.41 C ATOM 465 CE2 PHE A 675 17.532 -19.252 2.936 1.00 25.53 C ATOM 466 CZ PHE A 675 17.626 -20.154 1.908 1.00 24.85 C ATOM 467 H PHE A 675 14.216 -20.413 5.722 1.00 0.00 H ATOM 468 N PHE A 676 14.702 -22.385 8.345 1.00 31.76 N ATOM 469 CA PHE A 676 14.634 -23.055 9.640 1.00 31.40 C ATOM 470 C PHE A 676 13.803 -24.329 9.527 1.00 33.66 C ATOM 471 O PHE A 676 14.204 -25.388 10.001 1.00 34.25 O ATOM 472 CB PHE A 676 14.056 -22.132 10.713 1.00 35.66 C ATOM 473 CG PHE A 676 13.999 -22.759 12.072 1.00 45.78 C ATOM 474 CD1 PHE A 676 15.142 -22.862 12.850 1.00 49.60 C ATOM 475 CD2 PHE A 676 12.808 -23.255 12.568 1.00 43.92 C ATOM 476 CE1 PHE A 676 15.098 -23.444 14.105 1.00 53.65 C ATOM 477 CE2 PHE A 676 12.754 -23.839 13.830 1.00 44.59 C ATOM 478 CZ PHE A 676 13.903 -23.935 14.594 1.00 49.70 C ATOM 479 H PHE A 676 14.268 -21.448 8.219 1.00 0.00 H ATOM 480 N THR A 677 12.653 -24.221 8.875 1.00 33.73 N ATOM 481 CA THR A 677 11.818 -25.385 8.628 1.00 36.24 C ATOM 482 C THR A 677 12.575 -26.427 7.799 1.00 33.47 C ATOM 483 O THR A 677 12.464 -27.624 8.062 1.00 35.21 O ATOM 484 CB THR A 677 10.509 -24.988 7.919 1.00 30.86 C ATOM 485 OG1 THR A 677 9.756 -24.110 8.768 1.00 37.00 O ATOM 486 CG2 THR A 677 9.671 -26.218 7.602 1.00 37.25 C ATOM 487 HG1 THR A 677 9.546 -24.574 9.617 1.00 0.00 H ATOM 488 H THR A 677 12.344 -23.288 8.535 1.00 0.00 H ATOM 489 N MET A 678 13.351 -25.986 6.813 1.00 29.96 N ATOM 490 CA MET A 678 14.140 -26.930 6.025 1.00 27.85 C ATOM 491 C MET A 678 15.156 -27.674 6.886 1.00 33.17 C ATOM 492 O MET A 678 15.358 -28.870 6.706 1.00 30.12 O ATOM 493 CB MET A 678 14.859 -26.226 4.871 1.00 27.02 C ATOM 494 CG MET A 678 13.950 -25.887 3.701 1.00 24.70 C ATOM 495 SD MET A 678 14.838 -25.323 2.245 1.00 26.13 S ATOM 496 CE MET A 678 15.638 -26.843 1.727 1.00 27.97 C ATOM 497 H MET A 678 13.396 -24.968 6.603 1.00 0.00 H ATOM 498 N LYS A 679 15.799 -26.963 7.806 1.00 32.71 N ATOM 499 CA LYS A 679 16.725 -27.592 8.739 1.00 35.47 C ATOM 500 C LYS A 679 16.017 -28.666 9.559 1.00 34.69 C ATOM 501 O LYS A 679 16.544 -29.766 9.753 1.00 35.14 O ATOM 502 CB LYS A 679 17.350 -26.536 9.655 1.00 34.30 C ATOM 503 CG LYS A 679 18.292 -27.096 10.703 1.00 39.04 C ATOM 504 CD LYS A 679 19.464 -27.835 10.077 1.00 37.01 C ATOM 505 CE LYS A 679 20.699 -27.723 10.961 1.00 48.77 C ATOM 506 NZ LYS A 679 21.370 -29.036 11.171 1.00 48.70 N ATOM 507 HZ1 LYS A 679 20.707 -29.694 11.628 1.00 0.00 H ATOM 508 HZ2 LYS A 679 21.667 -29.423 10.252 1.00 0.00 H ATOM 509 HZ3 LYS A 679 22.204 -28.905 11.779 1.00 0.00 H ATOM 510 H LYS A 679 15.638 -25.937 7.861 1.00 0.00 H ATOM 511 N GLN A 680 14.819 -28.347 10.035 1.00 34.90 N ATOM 512 CA GLN A 680 14.042 -29.295 10.817 1.00 36.02 C ATOM 513 C GLN A 680 13.671 -30.517 9.981 1.00 38.52 C ATOM 514 O GLN A 680 13.744 -31.653 10.461 1.00 37.88 O ATOM 515 CB GLN A 680 12.780 -28.632 11.362 1.00 41.22 C ATOM 516 CG GLN A 680 13.047 -27.532 12.370 1.00 45.51 C ATOM 517 CD GLN A 680 11.768 -26.928 12.908 1.00 68.09 C ATOM 518 OE1 GLN A 680 10.954 -26.390 12.156 1.00 71.90 O ATOM 519 NE2 GLN A 680 11.576 -27.028 14.220 1.00 73.50 N ATOM 520 HE22 GLN A 680 12.291 -27.491 14.816 1.00 0.00 H ATOM 521 HE21 GLN A 680 10.711 -26.643 14.650 1.00 0.00 H ATOM 522 H GLN A 680 14.429 -27.402 9.845 1.00 0.00 H ATOM 523 N ASN A 681 13.270 -30.279 8.734 1.00 34.99 N ATOM 524 CA ASN A 681 12.925 -31.375 7.839 1.00 37.84 C ATOM 525 C ASN A 681 14.133 -32.256 7.562 1.00 39.65 C ATOM 526 O ASN A 681 14.030 -33.480 7.557 1.00 37.02 O ATOM 527 CB ASN A 681 12.345 -30.849 6.523 1.00 33.74 C ATOM 528 CG ASN A 681 10.975 -30.232 6.696 1.00 32.16 C ATOM 529 OD1 ASN A 681 10.280 -30.506 7.675 1.00 39.91 O ATOM 530 ND2 ASN A 681 10.565 -29.416 5.731 1.00 35.01 N ATOM 531 HD22 ASN A 681 11.187 -29.213 4.922 1.00 0.00 H ATOM 532 HD21 ASN A 681 9.622 -28.980 5.784 1.00 0.00 H ATOM 533 H ASN A 681 13.202 -29.298 8.395 1.00 0.00 H ATOM 534 N LEU A 682 15.279 -31.625 7.329 1.00 36.73 N ATOM 535 CA LEU A 682 16.508 -32.354 7.053 1.00 35.53 C ATOM 536 C LEU A 682 16.792 -33.343 8.177 1.00 42.04 C ATOM 537 O LEU A 682 17.095 -34.506 7.925 1.00 37.22 O ATOM 538 CB LEU A 682 17.683 -31.380 6.872 1.00 33.50 C ATOM 539 CG LEU A 682 19.015 -31.866 6.286 1.00 33.43 C ATOM 540 CD1 LEU A 682 19.836 -30.660 5.855 1.00 34.39 C ATOM 541 CD2 LEU A 682 19.822 -32.697 7.261 1.00 36.32 C ATOM 542 H LEU A 682 15.298 -30.585 7.344 1.00 0.00 H ATOM 543 N GLU A 683 16.690 -32.876 9.417 1.00 37.64 N ATOM 544 CA GLU A 683 17.022 -33.716 10.562 1.00 39.69 C ATOM 545 C GLU A 683 15.919 -34.729 10.862 1.00 46.04 C ATOM 546 O GLU A 683 16.138 -35.689 11.602 1.00 50.56 O ATOM 547 CB GLU A 683 17.308 -32.852 11.793 1.00 45.94 C ATOM 548 CG GLU A 683 18.373 -31.777 11.588 1.00 46.88 C ATOM 549 CD GLU A 683 19.764 -32.331 11.285 1.00 50.80 C ATOM 550 OE1 GLU A 683 19.995 -33.542 11.470 1.00 47.75 O ATOM 551 OE2 GLU A 683 20.636 -31.548 10.855 1.00 48.03 O ATOM 552 H GLU A 683 16.369 -31.899 9.573 1.00 0.00 H ATOM 553 N ALA A 684 14.741 -34.519 10.281 1.00 44.98 N ATOM 554 CA ALA A 684 13.631 -35.455 10.443 1.00 47.48 C ATOM 555 C ALA A 684 13.558 -36.414 9.260 1.00 54.18 C ATOM 556 O ALA A 684 12.518 -37.029 9.002 1.00 57.56 O ATOM 557 CB ALA A 684 12.319 -34.702 10.597 1.00 45.02 C ATOM 558 H ALA A 684 14.607 -33.668 9.698 1.00 0.00 H ATOM 559 N TYR A 685 14.672 -36.519 8.540 1.00 45.47 N ATOM 560 CA TYR A 685 14.818 -37.417 7.397 1.00 42.32 C ATOM 561 C TYR A 685 13.770 -37.219 6.310 1.00 45.73 C ATOM 562 O TYR A 685 13.475 -38.134 5.545 1.00 50.98 O ATOM 563 CB TYR A 685 14.798 -38.868 7.870 1.00 48.19 C ATOM 564 CG TYR A 685 15.820 -39.145 8.935 1.00 49.51 C ATOM 565 CD1 TYR A 685 17.173 -39.153 8.635 1.00 49.31 C ATOM 566 CD2 TYR A 685 15.436 -39.417 10.242 1.00 62.02 C ATOM 567 CE1 TYR A 685 18.115 -39.414 9.605 1.00 50.65 C ATOM 568 CE2 TYR A 685 16.373 -39.677 11.220 1.00 64.84 C ATOM 569 CZ TYR A 685 17.712 -39.674 10.895 1.00 64.96 C ATOM 570 OH TYR A 685 18.655 -39.934 11.861 1.00 72.77 O ATOM 571 HH TYR A 685 19.558 -39.892 11.458 1.00 0.00 H ATOM 572 H TYR A 685 15.485 -35.928 8.806 1.00 0.00 H ATOM 573 N ARG A 686 13.227 -36.015 6.212 1.00 39.01 N ATOM 574 CA ARG A 686 12.240 -35.743 5.184 1.00 44.70 C ATOM 575 C ARG A 686 12.906 -35.482 3.835 1.00 43.42 C ATOM 576 O ARG A 686 12.233 -35.407 2.803 1.00 45.09 O ATOM 577 CB ARG A 686 11.355 -34.579 5.616 1.00 51.18 C ATOM 578 CG ARG A 686 10.744 -34.825 6.989 1.00 62.00 C ATOM 579 CD ARG A 686 9.470 -34.036 7.225 1.00 68.55 C ATOM 580 NE ARG A 686 8.782 -34.495 8.430 1.00 72.68 N ATOM 581 CZ ARG A 686 8.916 -33.940 9.631 1.00 71.74 C ATOM 582 NH1 ARG A 686 9.706 -32.886 9.794 1.00 67.21 N ATOM 583 NH2 ARG A 686 8.250 -34.432 10.668 1.00 76.02 N ATOM 584 HE ARG A 686 8.144 -35.312 8.342 1.00 0.00 H ATOM 585 HH12 ARG A 686 9.809 -32.454 10.734 1.00 0.00 H ATOM 586 HH11 ARG A 686 10.222 -32.492 8.981 1.00 0.00 H ATOM 587 HH22 ARG A 686 8.355 -33.998 11.607 1.00 0.00 H ATOM 588 HH21 ARG A 686 7.623 -35.252 10.542 1.00 0.00 H ATOM 589 H ARG A 686 13.509 -35.263 6.873 1.00 0.00 H ATOM 590 N TYR A 687 14.233 -35.345 3.836 1.00 40.94 N ATOM 591 CA TYR A 687 14.979 -35.214 2.583 1.00 29.98 C ATOM 592 C TYR A 687 15.926 -36.382 2.389 1.00 36.93 C ATOM 593 O TYR A 687 17.034 -36.394 2.937 1.00 35.85 O ATOM 594 CB TYR A 687 15.788 -33.919 2.536 1.00 29.79 C ATOM 595 CG TYR A 687 14.996 -32.666 2.781 1.00 31.14 C ATOM 596 CD1 TYR A 687 13.763 -32.468 2.175 1.00 32.10 C ATOM 597 CD2 TYR A 687 15.486 -31.679 3.619 1.00 30.39 C ATOM 598 CE1 TYR A 687 13.035 -31.329 2.402 1.00 30.21 C ATOM 599 CE2 TYR A 687 14.769 -30.525 3.845 1.00 26.45 C ATOM 600 CZ TYR A 687 13.540 -30.363 3.244 1.00 29.40 C ATOM 601 OH TYR A 687 12.805 -29.230 3.483 1.00 28.56 O ATOM 602 HH TYR A 687 11.956 -29.276 2.976 1.00 0.00 H ATOM 603 H TYR A 687 14.746 -35.331 4.741 1.00 0.00 H ATOM 604 N LEU A 688 15.498 -37.348 1.593 1.00 30.65 N ATOM 605 CA LEU A 688 16.282 -38.552 1.354 1.00 33.75 C ATOM 606 C LEU A 688 16.760 -38.595 -0.087 1.00 33.58 C ATOM 607 O LEU A 688 17.368 -39.564 -0.530 1.00 36.73 O ATOM 608 CB LEU A 688 15.465 -39.797 1.686 1.00 32.71 C ATOM 609 CG LEU A 688 15.007 -39.858 3.141 1.00 33.15 C ATOM 610 CD1 LEU A 688 14.216 -41.129 3.385 1.00 35.41 C ATOM 611 CD2 LEU A 688 16.210 -39.788 4.065 1.00 38.79 C ATOM 612 H LEU A 688 14.575 -37.245 1.124 1.00 0.00 H ATOM 613 N ASN A 689 16.445 -37.543 -0.828 1.00 30.49 N ATOM 614 CA ASN A 689 17.011 -37.347 -2.152 1.00 33.12 C ATOM 615 C ASN A 689 17.160 -35.857 -2.441 1.00 27.77 C ATOM 616 O ASN A 689 16.589 -34.999 -1.760 1.00 27.24 O ATOM 617 CB ASN A 689 16.162 -38.033 -3.230 1.00 33.25 C ATOM 618 CG ASN A 689 14.726 -37.586 -3.210 1.00 32.11 C ATOM 619 OD1 ASN A 689 14.420 -36.455 -3.596 1.00 31.85 O ATOM 620 ND2 ASN A 689 13.835 -38.459 -2.778 1.00 38.62 N ATOM 621 HD22 ASN A 689 14.141 -39.402 -2.462 1.00 0.00 H ATOM 622 HD21 ASN A 689 12.827 -38.204 -2.753 1.00 0.00 H ATOM 623 H ASN A 689 15.776 -36.840 -0.453 1.00 0.00 H ATOM 624 N PHE A 690 17.953 -35.524 -3.440 1.00 29.10 N ATOM 625 CA PHE A 690 18.218 -34.128 -3.649 1.00 30.02 C ATOM 626 C PHE A 690 16.975 -33.370 -4.103 1.00 27.66 C ATOM 627 O PHE A 690 16.805 -32.203 -3.748 1.00 28.77 O ATOM 628 CB PHE A 690 19.355 -33.941 -4.648 1.00 33.50 C ATOM 629 CG PHE A 690 20.038 -32.629 -4.506 1.00 30.74 C ATOM 630 CD1 PHE A 690 21.030 -32.455 -3.560 1.00 32.14 C ATOM 631 CD2 PHE A 690 19.656 -31.549 -5.284 1.00 34.07 C ATOM 632 CE1 PHE A 690 21.658 -31.230 -3.407 1.00 32.83 C ATOM 633 CE2 PHE A 690 20.275 -30.320 -5.136 1.00 34.09 C ATOM 634 CZ PHE A 690 21.279 -30.163 -4.195 1.00 36.22 C ATOM 635 H PHE A 690 18.373 -36.249 -4.057 1.00 0.00 H ATOM 636 N ASP A 691 16.083 -34.037 -4.839 1.00 26.02 N ATOM 637 CA ASP A 691 14.931 -33.351 -5.419 1.00 23.50 C ATOM 638 C ASP A 691 13.971 -32.845 -4.352 1.00 28.68 C ATOM 639 O ASP A 691 13.404 -31.762 -4.490 1.00 26.07 O ATOM 640 CB ASP A 691 14.187 -34.258 -6.387 1.00 26.66 C ATOM 641 CG ASP A 691 14.930 -34.475 -7.686 1.00 39.11 C ATOM 642 OD1 ASP A 691 15.760 -33.624 -8.053 1.00 50.78 O ATOM 643 OD2 ASP A 691 14.667 -35.502 -8.344 1.00 58.97 O ATOM 644 H ASP A 691 16.210 -35.056 -5.001 1.00 0.00 H ATOM 645 N ASP A 692 13.784 -33.612 -3.290 1.00 25.26 N ATOM 646 CA ASP A 692 12.868 -33.170 -2.251 1.00 29.74 C ATOM 647 C ASP A 692 13.437 -31.978 -1.504 1.00 27.88 C ATOM 648 O ASP A 692 12.699 -31.090 -1.108 1.00 29.35 O ATOM 649 CB ASP A 692 12.559 -34.298 -1.297 1.00 28.65 C ATOM 650 CG ASP A 692 11.663 -35.331 -1.920 1.00 32.88 C ATOM 651 OD1 ASP A 692 10.899 -35.008 -2.862 1.00 32.17 O ATOM 652 OD2 ASP A 692 11.736 -36.481 -1.485 1.00 31.69 O ATOM 653 H ASP A 692 14.285 -34.519 -3.200 1.00 0.00 H ATOM 654 N PHE A 693 14.754 -31.964 -1.329 1.00 27.11 N ATOM 655 CA PHE A 693 15.455 -30.818 -0.760 1.00 26.60 C ATOM 656 C PHE A 693 15.266 -29.582 -1.634 1.00 27.31 C ATOM 657 O PHE A 693 14.833 -28.531 -1.169 1.00 24.57 O ATOM 658 CB PHE A 693 16.946 -31.159 -0.615 1.00 24.80 C ATOM 659 CG PHE A 693 17.797 -30.056 -0.035 1.00 23.77 C ATOM 660 CD1 PHE A 693 17.892 -29.858 1.338 1.00 25.17 C ATOM 661 CD2 PHE A 693 18.541 -29.245 -0.873 1.00 26.88 C ATOM 662 CE1 PHE A 693 18.704 -28.845 1.857 1.00 26.59 C ATOM 663 CE2 PHE A 693 19.359 -28.227 -0.353 1.00 25.20 C ATOM 664 CZ PHE A 693 19.435 -28.037 1.003 1.00 24.76 C ATOM 665 H PHE A 693 15.305 -32.801 -1.608 1.00 0.00 H ATOM 666 N GLU A 694 15.567 -29.732 -2.917 1.00 22.93 N ATOM 667 CA GLU A 694 15.482 -28.618 -3.850 1.00 24.09 C ATOM 668 C GLU A 694 14.050 -28.103 -3.999 1.00 26.01 C ATOM 669 O GLU A 694 13.846 -26.896 -4.168 1.00 25.85 O ATOM 670 CB GLU A 694 16.066 -29.026 -5.206 1.00 26.12 C ATOM 671 CG GLU A 694 16.060 -27.898 -6.241 1.00 31.92 C ATOM 672 CD GLU A 694 17.056 -28.112 -7.371 1.00 46.56 C ATOM 673 OE1 GLU A 694 17.979 -28.935 -7.212 1.00 42.29 O ATOM 674 OE2 GLU A 694 16.916 -27.450 -8.421 1.00 48.88 O ATOM 675 H GLU A 694 15.870 -30.665 -3.263 1.00 0.00 H ATOM 676 N GLU A 695 13.069 -28.996 -3.911 1.00 25.66 N ATOM 677 CA GLU A 695 11.657 -28.627 -4.026 1.00 25.29 C ATOM 678 C GLU A 695 11.267 -27.654 -2.915 1.00 30.10 C ATOM 679 O GLU A 695 10.556 -26.685 -3.158 1.00 25.65 O ATOM 680 CB GLU A 695 10.779 -29.883 -3.995 1.00 29.62 C ATOM 681 CG GLU A 695 9.280 -29.659 -4.025 1.00 31.87 C ATOM 682 CD GLU A 695 8.543 -30.981 -4.073 1.00 43.48 C ATOM 683 OE1 GLU A 695 8.164 -31.489 -3.000 1.00 49.97 O ATOM 684 OE2 GLU A 695 8.366 -31.510 -5.187 1.00 49.70 O ATOM 685 H GLU A 695 13.314 -29.995 -3.755 1.00 0.00 H ATOM 686 N ASP A 696 11.752 -27.878 -1.701 1.00 24.42 N ATOM 687 CA ASP A 696 11.400 -26.972 -0.610 1.00 24.90 C ATOM 688 C ASP A 696 12.166 -25.655 -0.736 1.00 25.50 C ATOM 689 O ASP A 696 11.639 -24.596 -0.396 1.00 24.08 O ATOM 690 CB ASP A 696 11.646 -27.614 0.759 1.00 24.07 C ATOM 691 CG ASP A 696 10.440 -28.396 1.256 1.00 28.05 C ATOM 692 OD1 ASP A 696 9.366 -28.351 0.602 1.00 31.36 O ATOM 693 OD2 ASP A 696 10.574 -29.066 2.299 1.00 29.97 O ATOM 694 H ASP A 696 12.377 -28.691 -1.527 1.00 0.00 H ATOM 695 N PHE A 697 13.405 -25.699 -1.225 1.00 22.33 N ATOM 696 CA PHE A 697 14.115 -24.458 -1.509 1.00 22.38 C ATOM 697 C PHE A 697 13.328 -23.668 -2.542 1.00 21.13 C ATOM 698 O PHE A 697 13.143 -22.455 -2.397 1.00 20.90 O ATOM 699 CB PHE A 697 15.531 -24.712 -2.013 1.00 21.47 C ATOM 700 CG PHE A 697 16.190 -23.479 -2.558 1.00 19.70 C ATOM 701 CD1 PHE A 697 16.693 -22.524 -1.697 1.00 23.58 C ATOM 702 CD2 PHE A 697 16.246 -23.253 -3.926 1.00 20.49 C ATOM 703 CE1 PHE A 697 17.283 -21.364 -2.195 1.00 25.81 C ATOM 704 CE2 PHE A 697 16.829 -22.081 -4.433 1.00 22.85 C ATOM 705 CZ PHE A 697 17.353 -21.159 -3.554 1.00 23.71 C ATOM 706 H PHE A 697 13.864 -26.615 -1.403 1.00 0.00 H ATOM 707 N ASN A 698 12.849 -24.352 -3.576 1.00 21.64 N ATOM 708 CA ASN A 698 12.108 -23.666 -4.628 1.00 20.29 C ATOM 709 C ASN A 698 10.833 -23.034 -4.106 1.00 23.61 C ATOM 710 O ASN A 698 10.417 -21.987 -4.605 1.00 24.13 O ATOM 711 CB ASN A 698 11.777 -24.630 -5.764 1.00 23.50 C ATOM 712 CG ASN A 698 12.984 -24.965 -6.615 1.00 20.35 C ATOM 713 OD1 ASN A 698 13.983 -24.256 -6.618 1.00 25.06 O ATOM 714 ND2 ASN A 698 12.875 -26.054 -7.370 1.00 25.62 N ATOM 715 HD22 ASN A 698 12.007 -26.626 -7.335 1.00 0.00 H ATOM 716 HD21 ASN A 698 13.657 -26.333 -7.996 1.00 0.00 H ATOM 717 H ASN A 698 13.003 -25.379 -3.635 1.00 0.00 H ATOM 718 N LEU A 699 10.239 -23.638 -3.078 1.00 22.08 N ATOM 719 CA LEU A 699 9.055 -23.070 -2.440 1.00 25.19 C ATOM 720 C LEU A 699 9.369 -21.740 -1.761 1.00 25.53 C ATOM 721 O LEU A 699 8.565 -20.809 -1.813 1.00 25.62 O ATOM 722 CB LEU A 699 8.477 -24.034 -1.416 1.00 29.06 C ATOM 723 CG LEU A 699 7.499 -25.074 -1.914 1.00 33.51 C ATOM 724 CD1 LEU A 699 7.062 -25.887 -0.714 1.00 30.82 C ATOM 725 CD2 LEU A 699 6.313 -24.373 -2.558 1.00 33.08 C ATOM 726 H LEU A 699 10.627 -24.535 -2.722 1.00 0.00 H ATOM 727 N ILE A 700 10.519 -21.664 -1.096 1.00 23.14 N ATOM 728 CA ILE A 700 10.960 -20.416 -0.476 1.00 23.34 C ATOM 729 C ILE A 700 10.921 -19.299 -1.511 1.00 24.56 C ATOM 730 O ILE A 700 10.338 -18.232 -1.291 1.00 24.06 O ATOM 731 CB ILE A 700 12.361 -20.566 0.121 1.00 20.49 C ATOM 732 CG1 ILE A 700 12.324 -21.566 1.276 1.00 24.66 C ATOM 733 CG2 ILE A 700 12.843 -19.247 0.665 1.00 23.04 C ATOM 734 CD1 ILE A 700 13.682 -21.808 1.917 1.00 25.96 C ATOM 735 H ILE A 700 11.117 -22.511 -1.016 1.00 0.00 H ATOM 736 N VAL A 701 11.514 -19.569 -2.664 1.00 20.16 N ATOM 737 CA VAL A 701 11.555 -18.603 -3.745 1.00 22.33 C ATOM 738 C VAL A 701 10.163 -18.326 -4.310 1.00 21.25 C ATOM 739 O VAL A 701 9.732 -17.168 -4.363 1.00 21.78 O ATOM 740 CB VAL A 701 12.478 -19.103 -4.870 1.00 20.78 C ATOM 741 CG1 VAL A 701 12.390 -18.195 -6.085 1.00 22.75 C ATOM 742 CG2 VAL A 701 13.914 -19.167 -4.366 1.00 20.55 C ATOM 743 H VAL A 701 11.962 -20.498 -2.798 1.00 0.00 H ATOM 744 N SER A 702 9.451 -19.373 -4.729 1.00 21.30 N ATOM 745 CA SER A 702 8.189 -19.182 -5.434 1.00 20.95 C ATOM 746 C SER A 702 7.118 -18.542 -4.554 1.00 21.88 C ATOM 747 O SER A 702 6.329 -17.729 -5.041 1.00 23.72 O ATOM 748 CB SER A 702 7.688 -20.511 -6.007 1.00 23.87 C ATOM 749 OG SER A 702 7.386 -21.462 -4.997 1.00 21.30 O ATOM 750 HG SER A 702 7.068 -22.299 -5.418 1.00 0.00 H ATOM 751 H SER A 702 9.800 -20.336 -4.551 1.00 0.00 H ATOM 752 N ASN A 703 7.092 -18.891 -3.269 1.00 22.99 N ATOM 753 CA ASN A 703 6.094 -18.287 -2.371 1.00 23.12 C ATOM 754 C ASN A 703 6.297 -16.784 -2.325 1.00 22.44 C ATOM 755 O ASN A 703 5.339 -16.021 -2.315 1.00 26.51 O ATOM 756 CB ASN A 703 6.182 -18.835 -0.943 1.00 23.66 C ATOM 757 CG ASN A 703 5.718 -20.260 -0.820 1.00 26.61 C ATOM 758 OD1 ASN A 703 5.046 -20.787 -1.694 1.00 30.98 O ATOM 759 ND2 ASN A 703 6.056 -20.889 0.304 1.00 28.57 N ATOM 760 HD22 ASN A 703 6.630 -20.401 1.021 1.00 0.00 H ATOM 761 HD21 ASN A 703 5.746 -21.869 0.465 1.00 0.00 H ATOM 762 H ASN A 703 7.773 -19.586 -2.902 1.00 0.00 H ATOM 763 N CYS A 704 7.559 -16.381 -2.255 1.00 23.07 N ATOM 764 CA CYS A 704 7.917 -14.978 -2.128 1.00 23.26 C ATOM 765 C CYS A 704 7.604 -14.205 -3.414 1.00 21.64 C ATOM 766 O CYS A 704 7.085 -13.073 -3.375 1.00 22.25 O ATOM 767 CB CYS A 704 9.394 -14.865 -1.764 1.00 21.26 C ATOM 768 SG CYS A 704 9.905 -13.219 -1.288 1.00 25.71 S ATOM 769 H CYS A 704 8.317 -17.092 -2.292 1.00 0.00 H ATOM 770 N LEU A 705 7.903 -14.822 -4.553 1.00 21.62 N ATOM 771 CA LEU A 705 7.570 -14.210 -5.837 1.00 22.37 C ATOM 772 C LEU A 705 6.044 -14.063 -5.970 1.00 22.95 C ATOM 773 O LEU A 705 5.542 -13.049 -6.496 1.00 24.33 O ATOM 774 CB LEU A 705 8.133 -15.046 -6.999 1.00 21.52 C ATOM 775 CG LEU A 705 9.643 -15.183 -7.136 1.00 20.29 C ATOM 776 CD1 LEU A 705 9.914 -16.132 -8.299 1.00 22.62 C ATOM 777 CD2 LEU A 705 10.300 -13.832 -7.358 1.00 22.11 C ATOM 778 H LEU A 705 8.377 -15.747 -4.530 1.00 0.00 H ATOM 779 N LYS A 706 5.299 -15.051 -5.477 1.00 24.43 N ATOM 780 CA LYS A 706 3.846 -15.039 -5.582 1.00 24.97 C ATOM 781 C LYS A 706 3.244 -13.956 -4.699 1.00 28.33 C ATOM 782 O LYS A 706 2.408 -13.167 -5.148 1.00 30.84 O ATOM 783 CB LYS A 706 3.249 -16.396 -5.200 1.00 24.28 C ATOM 784 CG LYS A 706 1.742 -16.371 -5.074 1.00 30.54 C ATOM 785 CD LYS A 706 1.165 -17.773 -5.111 1.00 39.00 C ATOM 786 CE LYS A 706 1.502 -18.443 -6.414 1.00 51.50 C ATOM 787 H LYS A 706 5.766 -15.851 -5.005 1.00 0.00 H ATOM 788 N TYR A 707 3.675 -13.910 -3.444 1.00 27.40 N ATOM 789 CA TYR A 707 3.017 -13.046 -2.475 1.00 26.93 C ATOM 790 C TYR A 707 3.309 -11.563 -2.678 1.00 30.08 C ATOM 791 O TYR A 707 2.432 -10.722 -2.479 1.00 33.46 O ATOM 792 CB TYR A 707 3.398 -13.441 -1.045 1.00 30.42 C ATOM 793 CG TYR A 707 2.604 -12.654 -0.041 1.00 31.92 C ATOM 794 CD1 TYR A 707 1.299 -13.012 0.269 1.00 34.77 C ATOM 795 CD2 TYR A 707 3.134 -11.523 0.563 1.00 32.15 C ATOM 796 CE1 TYR A 707 0.552 -12.275 1.171 1.00 41.88 C ATOM 797 CE2 TYR A 707 2.393 -10.781 1.468 1.00 34.23 C ATOM 798 CZ TYR A 707 1.107 -11.162 1.766 1.00 43.59 C ATOM 799 OH TYR A 707 0.379 -10.418 2.665 1.00 45.06 O ATOM 800 HH TYR A 707 -0.520 -10.818 2.771 1.00 0.00 H ATOM 801 H TYR A 707 4.485 -14.493 -3.152 1.00 0.00 H ATOM 802 N ASN A 708 4.537 -11.248 -3.087 1.00 26.35 N ATOM 803 CA ASN A 708 5.011 -9.864 -3.133 1.00 25.08 C ATOM 804 C ASN A 708 4.993 -9.251 -4.520 1.00 25.55 C ATOM 805 O ASN A 708 5.251 -9.941 -5.504 1.00 27.16 O ATOM 806 CB ASN A 708 6.428 -9.800 -2.570 1.00 25.13 C ATOM 807 CG ASN A 708 6.483 -10.229 -1.120 1.00 27.06 C ATOM 808 OD1 ASN A 708 6.116 -9.463 -0.230 1.00 31.40 O ATOM 809 ND2 ASN A 708 6.918 -11.460 -0.879 1.00 26.56 N ATOM 810 HD22 ASN A 708 7.217 -12.069 -1.667 1.00 0.00 H ATOM 811 HD21 ASN A 708 6.959 -11.815 0.098 1.00 0.00 H ATOM 812 H ASN A 708 5.180 -12.010 -3.383 1.00 0.00 H ATOM 813 N ALA A 709 4.685 -7.961 -4.598 1.00 28.16 N ATOM 814 CA ALA A 709 4.689 -7.238 -5.873 1.00 26.29 C ATOM 815 C ALA A 709 6.102 -7.139 -6.442 1.00 26.49 C ATOM 816 O ALA A 709 7.081 -7.178 -5.699 1.00 26.66 O ATOM 817 CB ALA A 709 4.081 -5.846 -5.703 1.00 29.31 C ATOM 818 H ALA A 709 4.434 -7.449 -3.728 1.00 0.00 H ATOM 819 N LYS A 710 6.209 -6.984 -7.757 1.00 27.38 N ATOM 820 CA LYS A 710 7.511 -6.990 -8.411 1.00 29.76 C ATOM 821 C LYS A 710 8.394 -5.826 -7.985 1.00 31.73 C ATOM 822 O LYS A 710 9.624 -5.928 -8.042 1.00 37.05 O ATOM 823 CB LYS A 710 7.347 -6.990 -9.934 1.00 33.14 C ATOM 824 CG LYS A 710 6.737 -8.275 -10.478 1.00 34.65 C ATOM 825 CD LYS A 710 6.711 -8.306 -12.012 1.00 36.96 C ATOM 826 CE LYS A 710 8.012 -8.877 -12.578 1.00 29.09 C ATOM 827 NZ LYS A 710 8.113 -8.637 -14.040 1.00 29.63 N ATOM 828 HZ1 LYS A 710 7.312 -9.094 -14.521 1.00 0.00 H ATOM 829 HZ2 LYS A 710 8.091 -7.614 -14.224 1.00 0.00 H ATOM 830 HZ3 LYS A 710 9.006 -9.036 -14.395 1.00 0.00 H ATOM 831 H LYS A 710 5.350 -6.856 -8.329 1.00 0.00 H ATOM 832 N ASP A 711 7.790 -4.728 -7.544 1.00 32.01 N ATOM 833 CA ASP A 711 8.583 -3.552 -7.228 1.00 37.77 C ATOM 834 C ASP A 711 9.017 -3.534 -5.765 1.00 32.94 C ATOM 835 O ASP A 711 9.347 -2.497 -5.232 1.00 35.25 O ATOM 836 CB ASP A 711 7.818 -2.268 -7.598 1.00 42.32 C ATOM 837 CG ASP A 711 6.567 -2.040 -6.756 1.00 43.79 C ATOM 838 OD1 ASP A 711 6.190 -2.910 -5.949 1.00 43.66 O ATOM 839 OD2 ASP A 711 5.941 -0.967 -6.918 1.00 50.57 O ATOM 840 H ASP A 711 6.757 -4.710 -7.426 1.00 0.00 H ATOM 841 N THR A 712 9.034 -4.694 -5.122 1.00 35.90 N ATOM 842 CA THR A 712 9.462 -4.754 -3.725 1.00 33.20 C ATOM 843 C THR A 712 10.850 -5.346 -3.552 1.00 30.02 C ATOM 844 O THR A 712 11.333 -6.115 -4.394 1.00 31.16 O ATOM 845 CB THR A 712 8.489 -5.588 -2.862 1.00 28.92 C ATOM 846 OG1 THR A 712 8.467 -6.945 -3.334 1.00 28.13 O ATOM 847 CG2 THR A 712 7.075 -4.989 -2.917 1.00 30.04 C ATOM 848 HG1 THR A 712 8.166 -6.960 -4.277 1.00 0.00 H ATOM 849 H THR A 712 8.742 -5.563 -5.613 1.00 0.00 H ATOM 850 N ILE A 713 11.491 -4.986 -2.444 1.00 30.13 N ATOM 851 CA ILE A 713 12.722 -5.644 -2.033 1.00 28.91 C ATOM 852 C ILE A 713 12.550 -7.167 -1.918 1.00 27.54 C ATOM 853 O ILE A 713 13.388 -7.926 -2.387 1.00 27.40 O ATOM 854 CB ILE A 713 13.221 -5.080 -0.685 1.00 29.72 C ATOM 855 CG1 ILE A 713 13.623 -3.612 -0.843 1.00 43.63 C ATOM 856 CG2 ILE A 713 14.370 -5.928 -0.155 1.00 33.87 C ATOM 857 CD1 ILE A 713 14.803 -3.398 -1.758 1.00 47.64 C ATOM 858 H ILE A 713 11.104 -4.218 -1.859 1.00 0.00 H ATOM 859 N PHE A 714 11.452 -7.616 -1.313 1.00 27.10 N ATOM 860 CA PHE A 714 11.236 -9.044 -1.121 1.00 26.89 C ATOM 861 C PHE A 714 11.208 -9.797 -2.448 1.00 24.91 C ATOM 862 O PHE A 714 11.812 -10.866 -2.583 1.00 24.44 O ATOM 863 CB PHE A 714 9.931 -9.304 -0.369 1.00 29.26 C ATOM 864 CG PHE A 714 9.967 -8.897 1.068 1.00 34.62 C ATOM 865 CD1 PHE A 714 11.135 -8.999 1.802 1.00 37.73 C ATOM 866 CD2 PHE A 714 8.835 -8.396 1.687 1.00 42.92 C ATOM 867 CE1 PHE A 714 11.170 -8.627 3.132 1.00 42.27 C ATOM 868 CE2 PHE A 714 8.862 -8.017 3.015 1.00 47.41 C ATOM 869 CZ PHE A 714 10.032 -8.133 3.740 1.00 49.03 C ATOM 870 H PHE A 714 10.740 -6.939 -0.973 1.00 0.00 H ATOM 871 N TYR A 715 10.488 -9.262 -3.430 1.00 23.73 N ATOM 872 CA TYR A 715 10.416 -9.946 -4.714 1.00 22.63 C ATOM 873 C TYR A 715 11.818 -10.035 -5.330 1.00 23.44 C ATOM 874 O TYR A 715 12.224 -11.094 -5.792 1.00 21.76 O ATOM 875 CB TYR A 715 9.425 -9.231 -5.657 1.00 22.70 C ATOM 876 CG TYR A 715 9.174 -9.950 -6.969 1.00 22.21 C ATOM 877 CD1 TYR A 715 10.045 -9.805 -8.050 1.00 24.13 C ATOM 878 CD2 TYR A 715 8.066 -10.771 -7.126 1.00 20.71 C ATOM 879 CE1 TYR A 715 9.812 -10.458 -9.250 1.00 21.41 C ATOM 880 CE2 TYR A 715 7.826 -11.444 -8.339 1.00 21.05 C ATOM 881 CZ TYR A 715 8.714 -11.272 -9.381 1.00 21.34 C ATOM 882 OH TYR A 715 8.489 -11.900 -10.578 1.00 22.87 O ATOM 883 HH TYR A 715 9.215 -11.672 -11.211 1.00 0.00 H ATOM 884 H TYR A 715 9.982 -8.365 -3.283 1.00 0.00 H ATOM 885 N ARG A 716 12.562 -8.933 -5.300 1.00 24.88 N ATOM 886 CA ARG A 716 13.895 -8.912 -5.903 1.00 24.41 C ATOM 887 C ARG A 716 14.902 -9.768 -5.134 1.00 25.10 C ATOM 888 O ARG A 716 15.872 -10.259 -5.712 1.00 25.08 O ATOM 889 CB ARG A 716 14.412 -7.479 -6.006 1.00 30.87 C ATOM 890 CG ARG A 716 13.492 -6.562 -6.786 1.00 37.12 C ATOM 891 CD ARG A 716 13.070 -7.198 -8.104 1.00 37.09 C ATOM 892 NE ARG A 716 12.163 -6.338 -8.855 1.00 33.41 N ATOM 893 CZ ARG A 716 12.435 -5.816 -10.047 1.00 38.07 C ATOM 894 NH1 ARG A 716 11.542 -5.045 -10.651 1.00 43.39 N ATOM 895 NH2 ARG A 716 13.592 -6.072 -10.640 1.00 38.63 N ATOM 896 HE ARG A 716 11.240 -6.118 -8.429 1.00 0.00 H ATOM 897 HH12 ARG A 716 11.754 -4.636 -11.584 1.00 0.00 H ATOM 898 HH11 ARG A 716 10.629 -4.849 -10.192 1.00 0.00 H ATOM 899 HH22 ARG A 716 13.800 -5.661 -11.573 1.00 0.00 H ATOM 900 HH21 ARG A 716 14.292 -6.683 -10.173 1.00 0.00 H ATOM 901 H ARG A 716 12.192 -8.076 -4.842 1.00 0.00 H ATOM 902 N ALA A 717 14.681 -9.925 -3.832 1.00 23.03 N ATOM 903 CA ALA A 717 15.470 -10.859 -3.021 1.00 24.70 C ATOM 904 C ALA A 717 15.236 -12.307 -3.406 1.00 22.87 C ATOM 905 O ALA A 717 16.189 -13.093 -3.427 1.00 24.43 O ATOM 906 CB ALA A 717 15.183 -10.650 -1.534 1.00 25.40 C ATOM 907 H ALA A 717 13.928 -9.371 -3.376 1.00 0.00 H ATOM 908 N ALA A 718 13.988 -12.659 -3.709 1.00 20.03 N ATOM 909 CA ALA A 718 13.673 -14.018 -4.129 1.00 17.85 C ATOM 910 C ALA A 718 14.282 -14.313 -5.499 1.00 21.17 C ATOM 911 O ALA A 718 14.773 -15.416 -5.731 1.00 21.32 O ATOM 912 CB ALA A 718 12.171 -14.223 -4.153 1.00 20.76 C ATOM 913 H ALA A 718 13.227 -11.953 -3.645 1.00 0.00 H ATOM 914 N VAL A 719 14.242 -13.349 -6.415 1.00 20.47 N ATOM 915 CA VAL A 719 14.880 -13.522 -7.718 1.00 21.70 C ATOM 916 C VAL A 719 16.379 -13.765 -7.519 1.00 21.89 C ATOM 917 O VAL A 719 16.964 -14.672 -8.126 1.00 23.25 O ATOM 918 CB VAL A 719 14.648 -12.291 -8.641 1.00 21.82 C ATOM 919 CG1 VAL A 719 15.498 -12.390 -9.904 1.00 25.40 C ATOM 920 CG2 VAL A 719 13.170 -12.172 -9.011 1.00 22.93 C ATOM 921 H VAL A 719 13.749 -12.459 -6.200 1.00 0.00 H ATOM 922 N ARG A 720 16.995 -12.973 -6.652 1.00 21.13 N ATOM 923 CA ARG A 720 18.445 -13.107 -6.443 1.00 20.96 C ATOM 924 C ARG A 720 18.770 -14.446 -5.803 1.00 23.14 C ATOM 925 O ARG A 720 19.768 -15.092 -6.146 1.00 24.60 O ATOM 926 CB ARG A 720 18.975 -11.959 -5.593 1.00 24.72 C ATOM 927 CG ARG A 720 20.477 -11.786 -5.742 1.00 30.16 C ATOM 928 CD ARG A 720 21.016 -10.744 -4.779 1.00 38.10 C ATOM 929 NE ARG A 720 20.907 -11.223 -3.405 1.00 38.70 N ATOM 930 CZ ARG A 720 21.116 -10.476 -2.327 1.00 47.76 C ATOM 931 NH1 ARG A 720 21.438 -9.199 -2.457 1.00 36.59 N ATOM 932 NH2 ARG A 720 20.995 -11.004 -1.119 1.00 49.00 N ATOM 933 HE ARG A 720 20.647 -12.220 -3.260 1.00 0.00 H ATOM 934 HH12 ARG A 720 21.601 -8.615 -1.612 1.00 0.00 H ATOM 935 HH11 ARG A 720 21.528 -8.779 -3.404 1.00 0.00 H ATOM 936 HH22 ARG A 720 21.159 -10.417 -0.276 1.00 0.00 H ATOM 937 HH21 ARG A 720 20.736 -12.006 -1.013 1.00 0.00 H ATOM 938 H ARG A 720 16.455 -12.260 -6.122 1.00 0.00 H ATOM 939 N LEU A 721 17.927 -14.878 -4.881 1.00 21.42 N ATOM 940 CA LEU A 721 18.138 -16.165 -4.216 1.00 20.42 C ATOM 941 C LEU A 721 18.000 -17.307 -5.216 1.00 22.61 C ATOM 942 O LEU A 721 18.761 -18.280 -5.167 1.00 23.69 O ATOM 943 CB LEU A 721 17.158 -16.341 -3.051 1.00 21.24 C ATOM 944 CG LEU A 721 17.378 -17.642 -2.278 1.00 21.99 C ATOM 945 CD1 LEU A 721 18.780 -17.644 -1.677 1.00 27.43 C ATOM 946 CD2 LEU A 721 16.317 -17.815 -1.196 1.00 25.87 C ATOM 947 H LEU A 721 17.104 -14.296 -4.625 1.00 0.00 H ATOM 948 N ARG A 722 17.032 -17.204 -6.116 1.00 20.02 N ATOM 949 CA ARG A 722 16.857 -18.199 -7.168 1.00 20.21 C ATOM 950 C ARG A 722 18.135 -18.305 -7.991 1.00 23.26 C ATOM 951 O ARG A 722 18.605 -19.414 -8.282 1.00 25.17 O ATOM 952 CB ARG A 722 15.677 -17.836 -8.061 1.00 20.13 C ATOM 953 CG ARG A 722 15.369 -18.864 -9.134 1.00 21.28 C ATOM 954 CD ARG A 722 14.203 -18.414 -9.986 1.00 22.05 C ATOM 955 NE ARG A 722 14.559 -17.259 -10.807 1.00 22.41 N ATOM 956 CZ ARG A 722 13.696 -16.347 -11.253 1.00 22.73 C ATOM 957 NH1 ARG A 722 12.406 -16.433 -10.950 1.00 25.23 N ATOM 958 NH2 ARG A 722 14.136 -15.339 -11.986 1.00 26.86 N ATOM 959 HE ARG A 722 15.560 -17.140 -11.062 1.00 0.00 H ATOM 960 HH12 ARG A 722 11.740 -15.716 -11.303 1.00 0.00 H ATOM 961 HH11 ARG A 722 12.062 -17.217 -10.360 1.00 0.00 H ATOM 962 HH22 ARG A 722 13.470 -14.623 -12.338 1.00 0.00 H ATOM 963 HH21 ARG A 722 15.149 -15.262 -12.210 1.00 0.00 H ATOM 964 H ARG A 722 16.381 -16.394 -6.071 1.00 0.00 H ATOM 965 N GLU A 723 18.688 -17.154 -8.352 1.00 22.48 N ATOM 966 CA GLU A 723 19.886 -17.105 -9.189 1.00 24.76 C ATOM 967 C GLU A 723 21.098 -17.664 -8.458 1.00 29.83 C ATOM 968 O GLU A 723 21.746 -18.617 -8.918 1.00 32.77 O ATOM 969 CB GLU A 723 20.150 -15.671 -9.641 1.00 26.23 C ATOM 970 CG GLU A 723 19.046 -15.108 -10.533 1.00 33.87 C ATOM 971 CD GLU A 723 19.263 -13.647 -10.914 1.00 42.93 C ATOM 972 OE1 GLU A 723 20.012 -12.937 -10.203 1.00 51.52 O ATOM 973 OE2 GLU A 723 18.671 -13.213 -11.922 1.00 42.09 O ATOM 974 H GLU A 723 18.258 -16.263 -8.031 1.00 0.00 H ATOM 975 N GLN A 724 21.382 -17.097 -7.298 1.00 24.52 N ATOM 976 CA GLN A 724 22.579 -17.483 -6.559 1.00 25.74 C ATOM 977 C GLN A 724 22.444 -18.895 -5.993 1.00 27.61 C ATOM 978 O GLN A 724 23.424 -19.649 -5.917 1.00 32.94 O ATOM 979 CB GLN A 724 22.852 -16.458 -5.457 1.00 25.41 C ATOM 980 CG GLN A 724 23.148 -15.080 -6.024 1.00 30.04 C ATOM 981 CD GLN A 724 23.405 -14.024 -4.975 1.00 37.60 C ATOM 982 OE1 GLN A 724 23.103 -14.211 -3.808 1.00 37.01 O ATOM 983 NE2 GLN A 724 23.986 -12.896 -5.395 1.00 38.34 N ATOM 984 HE22 GLN A 724 24.227 -12.778 -6.400 1.00 0.00 H ATOM 985 HE21 GLN A 724 24.197 -12.136 -4.717 1.00 0.00 H ATOM 986 H GLN A 724 20.747 -16.370 -6.909 1.00 0.00 H ATOM 987 N GLY A 725 21.236 -19.251 -5.582 1.00 25.74 N ATOM 988 CA GLY A 725 20.953 -20.578 -5.053 1.00 28.62 C ATOM 989 C GLY A 725 21.045 -21.695 -6.070 1.00 40.04 C ATOM 990 O GLY A 725 21.494 -22.798 -5.749 1.00 32.42 O ATOM 991 H GLY A 725 20.462 -18.558 -5.639 1.00 0.00 H ATOM 992 N GLY A 726 20.612 -21.424 -7.296 1.00 36.77 N ATOM 993 CA GLY A 726 20.651 -22.423 -8.355 1.00 38.83 C ATOM 994 C GLY A 726 22.057 -22.963 -8.575 1.00 36.84 C ATOM 995 O GLY A 726 22.258 -24.164 -8.761 1.00 35.36 O ATOM 996 H GLY A 726 20.237 -20.477 -7.505 1.00 0.00 H ATOM 997 N ALA A 727 23.040 -22.073 -8.522 1.00 36.35 N ATOM 998 CA ALA A 727 24.431 -22.452 -8.683 1.00 32.99 C ATOM 999 C ALA A 727 24.927 -23.320 -7.518 1.00 29.98 C ATOM 1000 O ALA A 727 25.649 -24.297 -7.713 1.00 31.16 O ATOM 1001 CB ALA A 727 25.292 -21.206 -8.813 1.00 41.40 C ATOM 1002 H ALA A 727 22.806 -21.073 -8.360 1.00 0.00 H ATOM 1003 N VAL A 728 24.543 -22.942 -6.307 1.00 27.62 N ATOM 1004 CA VAL A 728 24.869 -23.731 -5.123 1.00 24.41 C ATOM 1005 C VAL A 728 24.290 -25.142 -5.268 1.00 24.95 C ATOM 1006 O VAL A 728 24.949 -26.152 -4.948 1.00 28.07 O ATOM 1007 CB VAL A 728 24.340 -23.043 -3.834 1.00 22.98 C ATOM 1008 CG1 VAL A 728 24.411 -24.000 -2.635 1.00 28.44 C ATOM 1009 CG2 VAL A 728 25.123 -21.752 -3.539 1.00 28.60 C ATOM 1010 H VAL A 728 23.997 -22.063 -6.198 1.00 0.00 H ATOM 1011 N LEU A 729 23.062 -25.208 -5.766 1.00 25.83 N ATOM 1012 CA LEU A 729 22.346 -26.474 -5.892 1.00 24.52 C ATOM 1013 C LEU A 729 22.954 -27.378 -6.947 1.00 27.11 C ATOM 1014 O LEU A 729 23.088 -28.592 -6.734 1.00 28.25 O ATOM 1015 CB LEU A 729 20.881 -26.213 -6.224 1.00 27.10 C ATOM 1016 CG LEU A 729 20.143 -25.639 -5.019 1.00 31.19 C ATOM 1017 CD1 LEU A 729 18.810 -25.092 -5.461 1.00 35.96 C ATOM 1018 CD2 LEU A 729 19.960 -26.698 -3.949 1.00 30.34 C ATOM 1019 H LEU A 729 22.596 -24.332 -6.076 1.00 0.00 H ATOM 1020 N ARG A 730 23.317 -26.796 -8.082 1.00 25.52 N ATOM 1021 CA ARG A 730 23.894 -27.589 -9.158 1.00 29.34 C ATOM 1022 C ARG A 730 25.188 -28.272 -8.707 1.00 32.90 C ATOM 1023 O ARG A 730 25.412 -29.449 -8.986 1.00 31.79 O ATOM 1024 CB ARG A 730 24.152 -26.719 -10.390 1.00 34.94 C ATOM 1025 CG ARG A 730 24.776 -27.494 -11.533 1.00 38.99 C ATOM 1026 CD ARG A 730 24.709 -26.738 -12.853 1.00 40.80 C ATOM 1027 NE ARG A 730 25.359 -27.497 -13.917 1.00 49.80 N ATOM 1028 CZ ARG A 730 25.209 -27.249 -15.213 1.00 45.67 C ATOM 1029 NH1 ARG A 730 24.418 -26.264 -15.617 1.00 42.49 N ATOM 1030 NH2 ARG A 730 25.843 -28.000 -16.106 1.00 45.81 N ATOM 1031 HE ARG A 730 25.981 -28.284 -13.642 1.00 0.00 H ATOM 1032 HH12 ARG A 730 24.303 -26.073 -16.633 1.00 0.00 H ATOM 1033 HH11 ARG A 730 23.913 -25.683 -14.918 1.00 0.00 H ATOM 1034 HH22 ARG A 730 25.728 -27.809 -17.122 1.00 0.00 H ATOM 1035 HH21 ARG A 730 26.455 -28.779 -15.790 1.00 0.00 H ATOM 1036 H ARG A 730 23.189 -25.771 -8.204 1.00 0.00 H ATOM 1037 N GLN A 731 26.030 -27.545 -7.980 1.00 30.93 N ATOM 1038 CA GLN A 731 27.284 -28.114 -7.516 1.00 33.52 C ATOM 1039 C GLN A 731 27.050 -29.184 -6.454 1.00 32.09 C ATOM 1040 O GLN A 731 27.725 -30.217 -6.432 1.00 37.53 O ATOM 1041 CB GLN A 731 28.198 -27.010 -6.975 1.00 33.93 C ATOM 1042 CG GLN A 731 29.505 -27.517 -6.388 1.00 49.72 C ATOM 1043 H GLN A 731 25.790 -26.562 -7.741 1.00 0.00 H ATOM 1044 N ALA A 732 26.077 -28.947 -5.581 1.00 29.53 N ATOM 1045 CA ALA A 732 25.800 -29.907 -4.517 1.00 27.55 C ATOM 1046 C ALA A 732 25.223 -31.186 -5.093 1.00 33.91 C ATOM 1047 O ALA A 732 25.518 -32.284 -4.617 1.00 37.45 O ATOM 1048 CB ALA A 732 24.859 -29.309 -3.496 1.00 28.37 C ATOM 1049 H ALA A 732 25.512 -28.077 -5.656 1.00 0.00 H ATOM 1050 N ARG A 733 24.411 -31.049 -6.131 1.00 30.83 N ATOM 1051 CA ARG A 733 23.777 -32.214 -6.740 1.00 34.97 C ATOM 1052 C ARG A 733 24.816 -33.091 -7.428 1.00 41.46 C ATOM 1053 O ARG A 733 24.704 -34.320 -7.414 1.00 44.44 O ATOM 1054 CB ARG A 733 22.699 -31.787 -7.735 1.00 33.03 C ATOM 1055 CG ARG A 733 21.910 -32.954 -8.319 1.00 43.20 C ATOM 1056 CD ARG A 733 20.939 -32.505 -9.401 1.00 41.80 C ATOM 1057 NE ARG A 733 19.750 -31.834 -8.881 1.00 37.16 N ATOM 1058 CZ ARG A 733 18.630 -32.462 -8.541 1.00 34.90 C ATOM 1059 NH1 ARG A 733 18.560 -33.784 -8.638 1.00 36.69 N ATOM 1060 NH2 ARG A 733 17.586 -31.775 -8.095 1.00 36.22 N ATOM 1061 HE ARG A 733 19.783 -30.800 -8.770 1.00 0.00 H ATOM 1062 HH12 ARG A 733 17.685 -34.279 -8.373 1.00 0.00 H ATOM 1063 HH11 ARG A 733 19.380 -34.325 -8.979 1.00 0.00 H ATOM 1064 HH22 ARG A 733 16.711 -32.272 -7.830 1.00 0.00 H ATOM 1065 HH21 ARG A 733 17.642 -30.740 -8.010 1.00 0.00 H ATOM 1066 H ARG A 733 24.223 -30.101 -6.516 1.00 0.00 H ATOM 1067 N ARG A 734 25.826 -32.459 -8.021 1.00 36.21 N ATOM 1068 CA ARG A 734 26.915 -33.188 -8.666 1.00 43.55 C ATOM 1069 C ARG A 734 27.671 -34.039 -7.652 1.00 48.30 C ATOM 1070 O ARG A 734 28.138 -35.132 -7.970 1.00 50.92 O ATOM 1071 CB ARG A 734 27.882 -32.227 -9.368 1.00 48.97 C ATOM 1072 CG ARG A 734 27.398 -31.720 -10.726 1.00 48.70 C ATOM 1073 CD ARG A 734 28.514 -31.015 -11.498 1.00 50.87 C ATOM 1074 NE ARG A 734 28.291 -29.576 -11.618 1.00 53.23 N ATOM 1075 CZ ARG A 734 28.873 -28.658 -10.851 1.00 48.49 C ATOM 1076 NH1 ARG A 734 29.723 -29.022 -9.900 1.00 50.30 N ATOM 1077 NH2 ARG A 734 28.605 -27.373 -11.038 1.00 45.68 N ATOM 1078 HE ARG A 734 27.633 -29.247 -12.353 1.00 0.00 H ATOM 1079 HH12 ARG A 734 30.175 -28.301 -9.303 1.00 0.00 H ATOM 1080 HH11 ARG A 734 29.937 -30.029 -9.751 1.00 0.00 H ATOM 1081 HH22 ARG A 734 29.059 -26.654 -10.439 1.00 0.00 H ATOM 1082 HH21 ARG A 734 27.940 -27.084 -11.784 1.00 0.00 H ATOM 1083 H ARG A 734 25.840 -31.419 -8.025 1.00 0.00 H ATOM 1084 N GLN A 735 27.781 -33.535 -6.428 1.00 44.84 N ATOM 1085 CA GLN A 735 28.468 -34.254 -5.368 1.00 42.09 C ATOM 1086 C GLN A 735 27.605 -35.371 -4.799 1.00 45.19 C ATOM 1087 O GLN A 735 28.125 -36.403 -4.373 1.00 50.68 O ATOM 1088 CB GLN A 735 28.904 -33.280 -4.279 1.00 44.14 C ATOM 1089 CG GLN A 735 29.925 -32.286 -4.795 1.00 56.48 C ATOM 1090 CD GLN A 735 30.290 -31.230 -3.782 1.00 73.20 C ATOM 1091 OE1 GLN A 735 30.201 -31.454 -2.575 1.00 79.61 O ATOM 1092 NE2 GLN A 735 30.708 -30.065 -4.267 1.00 80.07 N ATOM 1093 HE22 GLN A 735 30.767 -29.921 -5.295 1.00 0.00 H ATOM 1094 HE21 GLN A 735 30.976 -29.298 -3.618 1.00 0.00 H ATOM 1095 H GLN A 735 27.366 -32.604 -6.223 1.00 0.00 H ATOM 1096 N ALA A 736 26.291 -35.179 -4.810 1.00 44.97 N ATOM 1097 CA ALA A 736 25.373 -36.243 -4.418 1.00 43.53 C ATOM 1098 C ALA A 736 25.402 -37.372 -5.449 1.00 51.42 C ATOM 1099 O ALA A 736 25.359 -38.552 -5.096 1.00 51.35 O ATOM 1100 CB ALA A 736 23.955 -35.698 -4.254 1.00 42.36 C ATOM 1101 H ALA A 736 25.911 -34.256 -5.102 1.00 0.00 H ATOM 1102 N GLU A 737 25.489 -37.002 -6.724 1.00 50.27 N ATOM 1103 CA GLU A 737 25.477 -37.979 -7.810 1.00 54.91 C ATOM 1104 C GLU A 737 26.766 -38.799 -7.859 1.00 60.30 C ATOM 1105 O GLU A 737 26.808 -39.865 -8.475 1.00 66.55 O ATOM 1106 CB GLU A 737 25.241 -37.279 -9.155 1.00 57.43 C ATOM 1107 CG GLU A 737 23.815 -36.758 -9.332 1.00 59.04 C ATOM 1108 CD GLU A 737 23.619 -35.972 -10.621 1.00 62.95 C ATOM 1109 OE1 GLU A 737 24.617 -35.724 -11.332 1.00 65.74 O ATOM 1110 OE2 GLU A 737 22.463 -35.599 -10.920 1.00 62.35 O ATOM 1111 H GLU A 737 25.568 -35.991 -6.954 1.00 0.00 H ATOM 1112 N LYS A 738 27.814 -38.305 -7.205 1.00 57.46 N ATOM 1113 CA LYS A 738 29.069 -39.048 -7.111 1.00 60.58 C ATOM 1114 C LYS A 738 29.024 -40.040 -5.952 1.00 61.62 C ATOM 1115 O LYS A 738 29.952 -40.825 -5.757 1.00 64.52 O ATOM 1116 CB LYS A 738 30.253 -38.093 -6.945 1.00 59.08 C ATOM 1117 CG LYS A 738 30.576 -37.285 -8.194 1.00 57.86 C ATOM 1118 CD LYS A 738 30.959 -38.195 -9.348 1.00 64.33 C ATOM 1119 H LYS A 738 27.739 -37.372 -6.752 1.00 0.00 H ATOM 1120 N MET A 739 27.937 -39.999 -5.186 1.00 58.85 N ATOM 1121 CA MET A 739 27.753 -40.908 -4.060 1.00 65.24 C ATOM 1122 C MET A 739 27.105 -42.207 -4.523 1.00 67.07 C ATOM 1123 O MET A 739 26.591 -42.977 -3.714 1.00 76.77 O ATOM 1124 CB MET A 739 26.902 -40.252 -2.966 1.00 65.24 C ATOM 1125 CG MET A 739 27.509 -38.986 -2.380 1.00 61.68 C ATOM 1126 SD MET A 739 26.480 -38.182 -1.127 1.00 49.31 S ATOM 1127 CE MET A 739 27.620 -36.923 -0.556 1.00 41.24 C ATOM 1128 H MET A 739 27.197 -39.299 -5.396 1.00 0.00 H TER 1129 MET A 739 HETATM 1130 O HOH 1 28.961 -22.181 3.944 1.00 56.00 O HETATM 1131 O HOH 2 21.294 -15.754 5.824 1.00 30.52 O HETATM 1132 O HOH 3 12.392 -9.654 -12.005 1.00 47.56 O HETATM 1133 O HOH 4 16.585 -9.105 -8.042 1.00 39.66 O HETATM 1134 O HOH 5 27.942 -20.400 6.661 1.00 58.61 O HETATM 1135 O HOH 6 30.390 -36.980 -3.754 1.00 53.06 O HETATM 1136 O HOH 7 12.875 -37.604 0.380 1.00 40.90 O HETATM 1137 O HOH 8 29.385 -29.477 -1.351 1.00 55.25 O HETATM 1138 O HOH 9 7.649 -29.350 -0.869 1.00 43.68 O HETATM 1139 O HOH 10 5.327 -7.121 0.173 1.00 43.30 O HETATM 1140 O HOH 11 18.856 -16.916 5.762 1.00 32.42 O HETATM 1141 O HOH 12 24.235 -13.024 -1.757 1.00 45.16 O HETATM 1142 O HOH 13 7.565 -21.480 6.510 1.00 34.16 O HETATM 1143 O HOH 14 22.289 -12.625 -8.913 1.00 49.72 O HETATM 1144 O HOH 15 9.144 -24.430 11.314 1.00 48.71 O HETATM 1145 O HOH 16 17.430 -21.781 -8.251 1.00 44.36 O HETATM 1146 O HOH 17 20.626 -14.359 -2.891 1.00 32.79 O HETATM 1147 O HOH 18 16.387 -35.378 5.526 1.00 32.70 O HETATM 1148 O HOH 19 16.704 -14.732 -12.844 1.00 39.63 O HETATM 1149 O HOH 20 8.396 -16.490 12.220 1.00 45.61 O HETATM 1150 O HOH 21 10.617 -17.995 3.437 1.00 31.13 O HETATM 1151 O HOH 22 27.130 -28.128 -0.809 1.00 31.94 O HETATM 1152 O HOH 23 27.261 -36.051 -11.575 1.00 56.37 O HETATM 1153 O HOH 24 7.824 -23.877 -6.062 1.00 33.81 O HETATM 1154 O HOH 25 9.231 -17.487 1.072 1.00 26.65 O HETATM 1155 O HOH 26 7.100 -19.061 2.616 1.00 29.74 O HETATM 1156 O HOH 27 10.635 -16.298 5.444 1.00 33.19 O HETATM 1157 O HOH 28 16.352 -24.302 -7.931 1.00 49.24 O HETATM 1158 O HOH 29 20.279 -25.449 -10.100 1.00 44.77 O HETATM 1159 O HOH 30 10.053 -31.612 -0.811 1.00 40.11 O HETATM 1160 O HOH 31 8.497 -30.688 2.949 1.00 41.91 O HETATM 1161 O HOH 32 22.642 -26.829 7.647 1.00 39.20 O HETATM 1162 O HOH 33 25.972 -18.740 -6.184 1.00 37.55 O HETATM 1163 O HOH 34 18.953 -10.561 -9.393 1.00 40.95 O HETATM 1164 O HOH 35 18.386 -11.904 0.989 1.00 40.26 O HETATM 1165 O HOH 36 10.393 -0.709 -7.036 1.00 49.78 O HETATM 1166 O HOH 37 8.190 -34.240 -3.035 1.00 37.52 O HETATM 1167 O HOH 38 29.245 -35.585 2.575 1.00 43.52 O HETATM 1168 O HOH 39 4.705 -21.118 -4.411 1.00 34.45 O HETATM 1169 O HOH 40 25.207 -14.175 4.547 1.00 45.07 O HETATM 1170 O HOH 41 27.282 -24.661 -9.920 1.00 53.74 O HETATM 1171 O HOH 42 17.303 -20.318 9.841 1.00 37.09 O HETATM 1172 O HOH 43 27.161 -19.651 -0.096 1.00 32.80 O HETATM 1173 O HOH 44 18.372 -13.007 -1.697 1.00 27.64 O HETATM 1174 O HOH 45 14.192 -21.568 -7.331 1.00 42.06 O HETATM 1175 O HOH 46 4.634 -25.133 5.946 1.00 42.41 O HETATM 1176 O HOH 47 1.721 -8.233 -1.422 1.00 42.89 O HETATM 1177 O HOH 48 2.959 -22.645 -1.531 1.00 35.33 O HETATM 1178 O HOH 49 27.355 -26.006 -3.504 1.00 37.89 O HETATM 1179 O HOH 50 4.478 -2.371 -3.783 1.00 54.88 O HETATM 1180 O HOH 51 27.982 -30.637 6.805 1.00 35.10 O HETATM 1181 O HOH 52 13.600 -31.979 13.257 1.00 49.12 O HETATM 1182 O HOH 53 13.023 -30.724 -7.116 1.00 44.29 O HETATM 1183 O HOH 54 8.603 -26.316 -5.217 1.00 28.61 O HETATM 1184 O HOH 55 10.470 -14.522 9.096 1.00 42.32 O HETATM 1185 O HOH 56 4.519 -18.742 7.198 1.00 36.65 O HETATM 1186 O HOH 57 3.805 -6.421 -9.239 1.00 29.47 O HETATM 1187 O HOH 58 26.704 -33.201 10.025 1.00 53.18 O HETATM 1188 O HOH 59 6.945 -19.066 5.644 1.00 34.10 O HETATM 1189 O HOH 60 1.009 -13.741 -7.616 1.00 50.49 O HETATM 1190 O HOH 61 24.881 -10.911 -3.488 1.00 50.76 O HETATM 1191 O HOH 62 28.996 -19.457 -3.947 1.00 45.03 O HETATM 1192 O HOH 63 3.791 -6.539 -2.214 1.00 34.22 O HETATM 1193 O HOH 64 24.118 -11.805 6.863 1.00 58.29 O HETATM 1194 O HOH 65 10.958 -18.980 -10.600 1.00 25.30 O HETATM 1195 O HOH 66 -0.485 -11.120 -2.273 1.00 51.38 O HETATM 1196 O HOH 67 24.964 -20.342 6.853 1.00 50.37 O HETATM 1197 O HOH 68 9.743 -35.839 1.254 1.00 41.54 O HETATM 1198 O HOH 69 19.253 -37.411 -5.350 1.00 48.40 O HETATM 1199 O HOH 70 12.619 -40.614 -1.111 1.00 39.76 O HETATM 1200 O HOH 71 19.003 -40.519 -2.838 1.00 55.43 O HETATM 1201 O HOH 72 27.114 -27.997 7.664 1.00 45.90 O HETATM 1202 O HOH 73 7.568 -29.092 5.665 1.00 39.84 O HETATM 1203 O HOH 74 16.779 -36.563 -6.461 1.00 38.38 O HETATM 1204 O HOH 75 7.240 -5.921 -15.037 1.00 36.25 O HETATM 1205 O HOH 76 12.861 -14.751 8.129 1.00 35.86 O HETATM 1206 O HOH 77 24.325 -37.437 9.712 1.00 55.20 O HETATM 1207 O HOH 78 10.097 -27.283 -7.483 1.00 33.25 O HETATM 1208 O HOH 79 20.464 -46.633 -0.467 1.00 33.87 O HETATM 1209 O HOH 80 18.202 -22.895 9.238 1.00 48.74 O HETATM 1210 O HOH 81 26.572 -15.612 -5.510 1.00 50.68 O HETATM 1211 O HOH 82 17.155 -14.088 11.403 1.00 57.10 O HETATM 1212 O HOH 83 26.340 -14.122 -0.137 1.00 45.20 O HETATM 1213 O HOH 84 26.681 -44.267 8.902 1.00 50.75 O HETATM 1214 O HOH 85 17.325 -17.848 -12.137 1.00 39.28 O HETATM 1215 O HOH 86 24.691 -12.484 -8.425 1.00 57.31 O HETATM 1216 O HOH 87 17.171 -29.742 -10.600 1.00 44.84 O HETATM 1217 O HOH 88 4.959 -3.986 -8.833 1.00 42.23 O HETATM 1218 O HOH 89 3.794 -18.014 11.724 1.00 50.07 O HETATM 1219 O HOH 90 7.963 -29.085 9.376 1.00 54.69 O HETATM 1220 O HOH 91 21.833 -24.054 7.889 1.00 53.28 O HETATM 1221 O HOH 92 22.339 -17.031 7.510 1.00 47.09 O HETATM 1222 O HOH 93 0.991 -21.422 -3.294 1.00 40.54 O HETATM 1223 O HOH 94 29.740 -33.036 1.767 1.00 47.99 O HETATM 1224 O HOH 95 28.353 -22.760 -6.082 1.00 52.68 O HETATM 1225 O HOH 96 9.870 -12.704 6.921 1.00 55.26 O HETATM 1226 O HOH 97 22.339 -49.021 -1.055 1.00 46.50 O HETATM 1227 O HOH 98 7.306 -34.134 4.975 1.00 55.83 O HETATM 1228 O HOH 99 5.740 -28.574 -2.924 1.00 53.39 O HETATM 1229 O HOH 100 28.554 -23.558 -3.753 1.00 44.52 O HETATM 1230 O HOH 101 24.441 -17.288 6.873 1.00 56.18 O HETATM 1231 O HOH 102 27.377 -23.672 -16.307 1.00 46.70 O HETATM 1232 O HOH 103 2.679 -25.103 -2.797 1.00 40.00 O HETATM 1233 O HOH 104 6.222 -3.312 -10.981 1.00 39.27 O HETATM 1234 O HOH 105 28.600 -21.209 -1.831 1.00 38.74 O HETATM 1235 O HOH 106 29.777 -23.667 -7.982 1.00 57.92 O HETATM 1236 O HOH 107 3.565 -3.632 -2.740 1.00 46.71 O HETATM 1237 O HOH 108 10.818 -29.808 -8.170 1.00 44.54 O HETATM 1238 O HOH 109 5.682 -22.991 8.126 1.00 40.56 O HETATM 1239 O HOH 110 28.090 -20.595 -6.013 1.00 50.80 O HETATM 1240 O HOH 111 26.132 -17.607 -8.680 1.00 53.22 O HETATM 1241 O HOH 112 30.508 -30.333 5.630 1.00 44.34 O HETATM 1242 O HOH 113 30.863 -37.084 4.225 1.00 49.07 O HETATM 1243 O HOH 114 6.360 -27.511 -5.048 1.00 45.34 O HETATM 1244 O HOH 115 6.060 -17.070 13.420 1.00 47.75 O HETATM 1245 O HOH 116 1.350 -6.943 -8.057 1.00 37.12 O HETATM 1246 O HOH 117 28.425 -31.729 9.233 1.00 48.53 O HETATM 1247 O HOH 118 3.858 -21.238 8.567 1.00 47.51 O HETATM 1248 O HOH 119 31.415 -27.829 5.653 1.00 56.94 O HETATM 1249 O HOH 120 7.216 -19.814 13.767 1.00 60.40 O HETATM 1250 O HOH 121 3.135 -27.751 -2.321 1.00 53.58 O HETATM 1251 O HOH 122 4.349 -25.788 -5.450 1.00 51.76 O HETATM 1252 O HOH 123 1.392 -22.725 7.865 1.00 46.36 O HETATM 1253 O HOH 124 0.758 -4.508 -6.742 1.00 48.89 O HETATM 1254 CAE UNN A 125 7.926 -11.334 3.708 1.00 -0.06 C HETATM 1255 CAB UNN A 125 6.669 -10.776 3.501 1.00 -0.07 C HETATM 1256 CAC UNN A 125 5.751 -11.434 2.693 1.00 -0.07 C HETATM 1257 CAF UNN A 125 6.082 -12.646 2.091 1.00 -0.05 C HETATM 1258 CAK UNN A 125 7.339 -13.206 2.292 1.00 0.05 C HETATM 1259 CAJ UNN A 125 8.258 -12.545 3.107 1.00 -0.03 C HETATM 1260 CAG UNN A 125 9.515 -13.101 3.321 1.00 -0.05 C HETATM 1261 CAD UNN A 125 9.837 -14.312 2.715 1.00 0.05 C HETATM 1262 NAH UNN A 125 8.896 -14.965 1.905 1.00 -0.22 N HETATM 1263 CAI UNN A 125 7.688 -14.427 1.705 1.00 0.23 C HETATM 1264 OAA UNN A 125 6.768 -15.056 0.914 1.00 -0.39 O HETATM 1265 H7 UNN A 125 9.130 -15.837 1.475 1.00 0.25 H HETATM 1266 H6 UNN A 125 10.821 -14.753 2.870 1.00 0.11 H HETATM 1267 H5 UNN A 125 10.240 -12.594 3.956 1.00 0.03 H HETATM 1268 H4 UNN A 125 5.358 -13.154 1.464 1.00 0.06 H HETATM 1269 H3 UNN A 125 4.770 -11.002 2.530 1.00 0.05 H HETATM 1270 H2 UNN A 125 6.407 -9.833 3.968 1.00 0.06 H HETATM 1271 H1 UNN A 125 8.647 -10.826 4.338 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1254 1255 1259 1271 CONECT 1255 1254 1256 1270 CONECT 1256 1255 1257 1269 CONECT 1257 1256 1258 1268 CONECT 1258 1257 1259 1263 CONECT 1259 1254 1258 1260 CONECT 1260 1259 1261 1267 CONECT 1261 1260 1262 1266 CONECT 1262 1261 1263 1265 CONECT 1263 1258 1262 1264 CONECT 1264 1263 CONECT 1265 1262 CONECT 1266 1261 CONECT 1267 1260 CONECT 1268 1257 CONECT 1269 1256 CONECT 1270 1255 CONECT 1271 1254 MASTER 0 0 0 0 0 0 0 0 1270 1 22 9 END
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Related entries of code: 5c87
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
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%
5o55
RCSB PDB
PDBbind
116aa, >5O55_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
5c87
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRPF1 bromodomain
Ligand Name
4YS
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd>200uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
9
H
7
NO
Molecular Weight
145.158
Exact Mass
145.053
No. of atoms
18
No. of bonds
19
Polar Surface Area
32.86
LOGP Value
1.33 (
Computed with XLOGP3
)
1.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
O=c1[nH]ccc2c1cccc2
InChI String
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
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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